N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide

C11H12F3NO — CID 139050394

IUPACN-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide
SMILESCC(=O)N[C@H](CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H12F3NO/c1-7(16)15-10(6-11(13)14)8-2-4-9(12)5-3-8/h2-5,10-11H,6H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyZKHCQCHNSWAJQB-SNVBAGLBSA-N
MW231.22 g/mol
LogP2.66
Rot. Bonds4

About N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide

N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide (PubChem CID 139050394) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide
PubChem CID139050394
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide
SMILESCC(=O)N[C@H](CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H12F3NO/c1-7(16)15-10(6-11(13)14)8-2-4-9(12)5-3-8/h2-5,10-11H,6H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyZKHCQCHNSWAJQB-SNVBAGLBSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-acetamido-4-(4-fluorophenyl)butanoic acid
CID 110671651
N-[3-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxopropyl]acetamide
CID 44561095
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
N-[1-(4-fluorophenyl)-2-(4-fluoro-N-pyridin-4-ylanilino)ethyl]acetamide
CID 57202962
N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide
CID 10382046
N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
CID 129412239
N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide
CID 51195838
N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide
CID 129412209
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4789962
(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92685363
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
N-[1-(4-fluorophenyl)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 46957784

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide?
The IUPAC name of N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide (CID 139050394) is N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide.
What is the SMILES notation for N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide?
The canonical SMILES for N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide is CC(=O)N[C@H](CC(F)F)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide?
The InChIKey is ZKHCQCHNSWAJQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7(16)15-10(6-11(13)14)8-2-4-9(12)5-3-8/h2-5,10-11H,6H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide?
N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide has a molecular weight of 231.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 139050394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).