CAS
930111-02-7 Purity
---
930111-02-7 Purity
---
Shopping basket
Pentafluorophenyl 1-(thien-2-ylmethyl)piperidine-4-carboxylate
CAS
930111-06-1
Catalog Number
ACM930111061
Category
Other Products
Molecular Weight
391.356
Molecular Formula
C17H14F5NO2S
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
930111-06-1, pentafluorophenyl 1-(thiophen-2-ylmethyl)piperidine-4-carboxylate, CTK5H2008, MolPort-000-144-070, AG-H-80542, CC66726, A844422, Pentafluorophenyl 1-(thien-2-ylmethyl)piperidine-4-carboxylate, [2,3,4,5,6-pentakis(fluoranyl)phenyl] 1-(thiophen-2-ylmethyl)piperidine-4-carboxylate, 1-(thiophen-2-ylmethyl)-4-piperidinecarboxylic acid (2,3,4,5,6-pentafluorophenyl) ester
IUPAC Name
(2,3,4,5,6-pentafluorophenyl) 1-(thiophen-2-ylmethyl)piperidine-4-carboxylate
Canonical SMILES
C1CN(CCC1C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)CC3=CC=CS3
InChI Key
ZANIAEUMQOHKCJ-UHFFFAOYSA-N
Boiling Point
408.6ºC at 760 mmHg
Melting Point
73-75ºC
Flash Point
200.9ºC
Density
1.452g/cm³
Exact Mass
391.06700
H-Bond Acceptor
9
H-Bond Donor
0
What is the molecular formula of Pentafluorophenyl 1-(thien-2-ylmethyl)piperidine-4-carboxylate?
The molecular formula is C17H14F5NO2S.
What is the molecular weight of Pentafluorophenyl 1-(thien-2-ylmethyl)piperidine-4-carboxylate?
The molecular weight is 391.4 g/mol.
What is the IUPAC name of Pentafluorophenyl 1-(thien-2-ylmethyl)piperidine-4-carboxylate?
The IUPAC name is (2,3,4,5,6-pentafluorophenyl) 1-(thiophen-2-ylmethyl)piperidine-4-carboxylate.
What is the InChI of Pentafluorophenyl 1-(thien-2-ylmethyl)piperidine-4-carboxylate?
The InChI is InChI=1S/C17H14F5NO2S/c18-11-12(19)14(21)16(15(22)13(11)20)25-17(24)9-3-5-23(6-4-9)8-10-2-1-7-26-10/h1-2,7,9H,3-6,8H2.
What is the InChIKey of Pentafluorophenyl 1-(thien-2-ylmethyl)piperidine-4-carboxylate?
The InChIKey is ZANIAEUMQOHKCJ-UHFFFAOYSA-N.
What is the Canonical SMILES of Pentafluorophenyl 1-(thien-2-ylmethyl)piperidine-4-carboxylate?
The Canonical SMILES is C1CN(CCC1C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)CC3=CC=CS3.
What is the CAS number of Pentafluorophenyl 1-(thien-2-ylmethyl)piperidine-4-carboxylate?
The CAS number is 930111-06-1.
What is the XLogP3-AA value of Pentafluorophenyl 1-(thien-2-ylmethyl)piperidine-4-carboxylate?
The XLogP3-AA value is 3.9.
How many hydrogen bond acceptors does Pentafluorophenyl 1-(thien-2-ylmethyl)piperidine-4-carboxylate have?
It has 9 hydrogen bond acceptors.
Is the compound canonicalized?
Yes, the compound is canonicalized.
Recommended Products
![1-Propanamine,3-[2-(chloromethyl)phenoxy]-N,N-dimethyl-,hydrochloride(1:1)](https://resource.alfa-chemistry.com/structure/930111-03-8.gif)
CAS
930111-03-8 Purity
96%
930111-03-8 Purity
96%
![4-[(Methylamino)methyl]-1-(thien-2-ylmethyl)piperidine 97%](https://resource.alfa-chemistry.com/structure/930111-07-2.gif)
CAS
930111-07-2 Purity
96%
930111-07-2 Purity
96%
CAS
930111-10-7 Purity
96%
930111-10-7 Purity
96%
