1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

C11H12F2N2O2 — CID 168663375

IUPAC1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESNc1ccc(F)c(F)c1N1CC(CO)CC1=O
InChIInChI=1S/C11H12F2N2O2/c12-7-1-2-8(14)11(10(7)13)15-4-6(5-16)3-9(15)17/h1-2,6,16H,3-5,14H2
InChIKeyCLQYCYKTOQRROW-UHFFFAOYSA-N
MW242.22 g/mol
LogP0.89
Rot. Bonds2

About 1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663375) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663375
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESNc1ccc(F)c(F)c1N1CC(CO)CC1=O
InChIInChI=1S/C11H12F2N2O2/c12-7-1-2-8(14)11(10(7)13)15-4-6(5-16)3-9(15)17/h1-2,6,16H,3-5,14H2
InChIKeyCLQYCYKTOQRROW-UHFFFAOYSA-N
XLogP0.89
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(6-amino-2,3-difluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671334
1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657581
1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663357
1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715246
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664180
1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672168
1-(2-amino-4,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662651
1-(3,4-dichloro-2-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663351
4-(chloromethyl)-1-(2,3-difluoro-6-nitrophenyl)pyrrolidin-2-one
CID 168508690
1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663711
1-(2,3-difluoro-6-nitrophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671370

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663375) is 1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is Nc1ccc(F)c(F)c1N1CC(CO)CC1=O.
What is the InChIKey of 1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is CLQYCYKTOQRROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-7-1-2-8(14)11(10(7)13)15-4-6(5-16)3-9(15)17/h1-2,6,16H,3-5,14H2.
What are the key properties of 1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 242.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).