1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one

C10H8ClF2NO2 — CID 83087452

IUPAC1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H8ClF2NO2/c11-7-1-5(12)2-8(13)10(7)14-4-6(15)3-9(14)16/h1-2,6,15H,3-4H2
InChIKeyMEMKPRLSHZNTGS-UHFFFAOYSA-N
MW247.63 g/mol
LogP1.72
Rot. Bonds1

About 1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one

1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 83087452) has the molecular formula C10H8ClF2NO2 and a molecular weight of 247.63 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one
PubChem CID83087452
Molecular FormulaC10H8ClF2NO2
Molecular Weight247.63 g/mol
Exact Mass247.02
IUPAC Name1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H8ClF2NO2/c11-7-1-5(12)2-8(13)10(7)14-4-6(15)3-9(14)16/h1-2,6,15H,3-4H2
InChIKeyMEMKPRLSHZNTGS-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703213
4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one
CID 168508594
1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one
CID 65474969
3-chloro-5-fluoro-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoic acid
CID 168709647
1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703474
4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one
CID 168703000
[1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673891
1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703206
3-chloro-5-fluoro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715157
1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508593
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
4-(sulfanylmethyl)-1-(2,4,6-trifluorophenyl)pyrrolidin-2-one
CID 168671314

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one (CID 83087452) is 1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1c(F)cc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is MEMKPRLSHZNTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO2/c11-7-1-5(12)2-8(13)10(7)14-4-6(15)3-9(14)16/h1-2,6,15H,3-4H2.
What are the key properties of 1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one?
1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 247.63 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 83087452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).