(2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide

C9H8ClF2NO — CID 162401920

IUPAC(2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide
SMILESNC(=O)[C@H](c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C9H8ClF2NO/c10-6-3-1-5(2-4-6)7(8(11)12)9(13)14/h1-4,7-8H,(H2,13,14)/t7-/m1/s1
InChIKeyOPSNOGGGVRHTKU-SSDOTTSWSA-N
MW219.62 g/mol
LogP2.17
Rot. Bonds3

About (2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide

(2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide (PubChem CID 162401920) has the molecular formula C9H8ClF2NO and a molecular weight of 219.62 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide
PubChem CID162401920
Molecular FormulaC9H8ClF2NO
Molecular Weight219.62 g/mol
Exact Mass219.03
IUPAC Name(2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide
SMILESNC(=O)[C@H](c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C9H8ClF2NO/c10-6-3-1-5(2-4-6)7(8(11)12)9(13)14/h1-4,7-8H,(H2,13,14)/t7-/m1/s1
InChIKeyOPSNOGGGVRHTKU-SSDOTTSWSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide (CID 162401920) is (2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide is NC(=O)[C@H](c1ccc(Cl)cc1)C(F)F.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide?
The InChIKey is OPSNOGGGVRHTKU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H8ClF2NO/c10-6-3-1-5(2-4-6)7(8(11)12)9(13)14/h1-4,7-8H,(H2,13,14)/t7-/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide?
(2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide has a molecular weight of 219.62 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3,3-difluoropropanamide is sourced from PubChem (CID 162401920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).