CAS
932702-41-5 Purity
96%
932702-41-5 Purity
96%
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Benzyl N-[(1R,3S)-3-fluorocyclopentyl]carbamate
CAS
932706-26-8
Catalog Number
ACM932706268
Category
Other Products
Molecular Weight
237.270043 [g/mol]
Molecular Formula
C13H16FNO2
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Specification
Synonyms
SCHEMBL3538525, DB-058186, benzyl N-[(1S,3R)-3-fluorocyclopentyl]carbamate, 932706-26-8
IUPAC Name
benzyl N-[(1S,3R)-3-fluorocyclopentyl]carbamate
Canonical SMILES
C1CC(CC1NC(=O)OCC2=CC=CC=C2)F
InChI Key
NDVBOSIQTJVVNB-NEPJUHHUSA-N
Boiling Point
371.3±41.0 °C (760 mmHg)
Density
1.16±0.1 g/cm³(20 °C , 760mmHg)
Exact Mass
237.11700
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Benzyl N-[(1R,3S)-3-fluorocyclopentyl]carbamate?
The molecular formula is C13H16FNO2.
What is the molecular weight of Benzyl N-[(1R,3S)-3-fluorocyclopentyl]carbamate?
The molecular weight is 237.27 g/mol.
What is the IUPAC name of Benzyl N-[(1R,3S)-3-fluorocyclopentyl]carbamate?
The IUPAC name is benzyl N-[(1R,3S)-3-fluorocyclopentyl]carbamate.
What is the InChI of Benzyl N-[(1R,3S)-3-fluorocyclopentyl]carbamate?
The InChI is InChI=1S/C13H16FNO2/c14-11-6-7-12(8-11)15-13(16)17-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,16)/t11-,12+/m0/s1.
What is the InChIKey of Benzyl N-[(1R,3S)-3-fluorocyclopentyl]carbamate?
The InChIKey is NDVBOSIQTJVVNB-NWDGAFQWSA-N.
What is the canonical SMILES of Benzyl N-[(1R,3S)-3-fluorocyclopentyl]carbamate?
The canonical SMILES is C1CC(CC1NC(=O)OCC2=CC=CC=C2)F.
What is the isomeric SMILES of Benzyl N-[(1R,3S)-3-fluorocyclopentyl]carbamate?
The isomeric SMILES is C1C[C@@H](C[C@@H]1NC(=O)OCC2=CC=CC=C2)F.
What is the XLogP3-AA value of Benzyl N-[(1R,3S)-3-fluorocyclopentyl]carbamate?
The XLogP3-AA value is 2.8.
How many hydrogen bond donor counts does Benzyl N-[(1R,3S)-3-fluorocyclopentyl]carbamate have?
It has 1 hydrogen bond donor count.
How many rotatable bond counts does Benzyl N-[(1R,3S)-3-fluorocyclopentyl]carbamate have?
It has 4 rotatable bond counts.
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