(4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one

C10H8ClF2NO2 — CID 58238342

IUPAC(4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one
SMILESO=C1N(c2cccc(Cl)c2)C[C@H](O)C1(F)F
InChIInChI=1S/C10H8ClF2NO2/c11-6-2-1-3-7(4-6)14-5-8(15)10(12,13)9(14)16/h1-4,8,15H,5H2/t8-/m0/s1
InChIKeyKWPYRDAFARKJFK-QMMMGPOBSA-N
MW247.63 g/mol
LogP1.68
Rot. Bonds1

About (4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one

(4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one (PubChem CID 58238342) has the molecular formula C10H8ClF2NO2 and a molecular weight of 247.63 g/mol. Its IUPAC name is (4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one
PubChem CID58238342
Molecular FormulaC10H8ClF2NO2
Molecular Weight247.63 g/mol
Exact Mass247.02
IUPAC Name(4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one
SMILESO=C1N(c2cccc(Cl)c2)C[C@H](O)C1(F)F
InChIInChI=1S/C10H8ClF2NO2/c11-6-2-1-3-7(4-6)14-5-8(15)10(12,13)9(14)16/h1-4,8,15H,5H2/t8-/m0/s1
InChIKeyKWPYRDAFARKJFK-QMMMGPOBSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.63
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961221
1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 131329119
5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione
CID 171843838
1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016836
1-(3-chlorophenyl)-2-(2-fluorophenyl)-4,5-dihydroimidazol-4-ol
CID 141291648
2,2,2-trifluoroethyl 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 71572693
(5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one
CID 96576956
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
(1S,2R,6R,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98173936
(1S,2R,6S,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98119677
1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one
CID 171676116
(2-chlorophenyl) (3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057050

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one?
The IUPAC name of (4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one (CID 58238342) is (4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one?
The canonical SMILES for (4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one is O=C1N(c2cccc(Cl)c2)C[C@H](O)C1(F)F.
What is the InChIKey of (4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one?
The InChIKey is KWPYRDAFARKJFK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H8ClF2NO2/c11-6-2-1-3-7(4-6)14-5-8(15)10(12,13)9(14)16/h1-4,8,15H,5H2/t8-/m0/s1.
What are the key properties of (4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one?
(4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one has a molecular weight of 247.63 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 58238342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).