1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

C11H10ClF2NO2 — CID 168663357

IUPAC1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1c(F)cc(Cl)cc1F
InChIInChI=1S/C11H10ClF2NO2/c12-7-2-8(13)11(9(14)3-7)15-4-6(5-16)1-10(15)17/h2-3,6,16H,1,4-5H2
InChIKeySHEUKJASVPDLKM-UHFFFAOYSA-N
MW261.65 g/mol
LogP1.96
Rot. Bonds2

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

1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663357) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.65 g/mol. Its IUPAC name is 1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663357
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.65 g/mol
Exact Mass261.04
IUPAC Name1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1c(F)cc(Cl)cc1F
InChIInChI=1S/C11H10ClF2NO2/c12-7-2-8(13)11(9(14)3-7)15-4-6(5-16)1-10(15)17/h2-3,6,16H,1,4-5H2
InChIKeySHEUKJASVPDLKM-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichloro-5-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663323
1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663375
[1-(2-bromo-4-chloro-6-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676817
4-(sulfanylmethyl)-1-(2,4,6-trifluorophenyl)pyrrolidin-2-one
CID 168671314
1-(4-hydroxy-2,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662808
1-(2-chloro-5-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663464
1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664302
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one
CID 168660507
1-[4-(4-chlorophenoxy)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 22116043
1-(3,4-dichloro-2-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663351
1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663944

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663357) is 1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1c(F)cc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is SHEUKJASVPDLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c12-7-2-8(13)11(9(14)3-7)15-4-6(5-16)1-10(15)17/h2-3,6,16H,1,4-5H2.
What are the key properties of 1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 261.65 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).