CAS
90525-59-0 Purity
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90525-59-0 Purity
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3-Fluoro-N,N-diisopropyl-5-trifluoromethyl-benzamide
CAS
905273-67-8
Catalog Number
ACM905273678
Category
Other Products
Molecular Weight
296.40336;g/mol
Molecular Formula
C20H24O2
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Specification
IUPAC Name
(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Canonical SMILES
CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
InChI Key
BFPYWIDHMRZLRN-SLHNCBLASA-N
EC Number
200-342-2
What is the molecular formula of 3-Fluoro-N,N-diisopropyl-5-trifluoromethyl-benzamide?
The molecular formula is C14H17F4NO.
When was 3-Fluoro-N,N-diisopropyl-5-trifluoromethyl-benzamide first created and modified in PubChem?
It was first created on 2009-09-25 and last modified on 2023-12-30.
What is the IUPAC Name of 3-Fluoro-N,N-diisopropyl-5-trifluoromethyl-benzamide?
The IUPAC Name is 3-fluoro-N,N-di(propan-2-yl)-5-(trifluoromethyl)benzamide.
What is the InChI of 3-Fluoro-N,N-diisopropyl-5-trifluoromethyl-benzamide?
The InChI is InChI=1S/C14H17F4NO/c1-8(2)19(9(3)4)13(20)10-5-11(14(16,17)18)7-12(15)6-10/h5-9H,1-4H3.
What is the Canonical SMILES of 3-Fluoro-N,N-diisopropyl-5-trifluoromethyl-benzamide?
The Canonical SMILES is CC(C)N(C(C)C)C(=O)C1=CC(=CC(=C1)F)C(F)(F)F.
What is the Molecular Weight of 3-Fluoro-N,N-diisopropyl-5-trifluoromethyl-benzamide?
The Molecular Weight is 291.28 g/mol.
How many Hydrogen Bond Acceptor Count does 3-Fluoro-N,N-diisopropyl-5-trifluoromethyl-benzamide have?
It has 5 Hydrogen Bond Acceptor Count.
What is the Topological Polar Surface Area of 3-Fluoro-N,N-diisopropyl-5-trifluoromethyl-benzamide?
The Topological Polar Surface Area is 20.3 Ų.
Does 3-Fluoro-N,N-diisopropyl-5-trifluoromethyl-benzamide have a defined atom stereocenter count?
No, it does not have a defined atom stereocenter count.
Is 3-Fluoro-N,N-diisopropyl-5-trifluoromethyl-benzamide a canonicalized compound in PubChem?
Yes, it is a canonicalized compound.
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