4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one

C7H10ClF2NO — CID 168508177

IUPAC4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CC(F)F
InChIInChI=1S/C7H10ClF2NO/c8-2-5-1-7(12)11(3-5)4-6(9)10/h5-6H,1-4H2
InChIKeyKIPGNYVPTDWLLW-UHFFFAOYSA-N
MW197.61 g/mol
LogP1.34
Rot. Bonds3

About 4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one

4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one (PubChem CID 168508177) has the molecular formula C7H10ClF2NO and a molecular weight of 197.61 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one
PubChem CID168508177
Molecular FormulaC7H10ClF2NO
Molecular Weight197.61 g/mol
Exact Mass197.04
IUPAC Name4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CC(F)F
InChIInChI=1S/C7H10ClF2NO/c8-2-5-1-7(12)11(3-5)4-6(9)10/h5-6H,1-4H2
InChIKeyKIPGNYVPTDWLLW-UHFFFAOYSA-N
XLogP1.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.61
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one
CID 168504854
1-(chloromethyl)-4-(2,2-difluoroethyl)pyrrolidin-2-one
CID 67116762
1-(2,2-difluoroethyl)-4-sulfanylpyrrolidin-2-one
CID 168709258
4-(chloromethyl)-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168506792
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]propanenitrile
CID 168508201
4-(chloromethyl)-1-(cyclohexylmethyl)pyrrolidin-2-one
CID 168508195
1-(3-aminopropyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508223
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
4-(chloromethyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
CID 168506958
4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 168508249
4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
4-(chloromethyl)-1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 168506648

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one (CID 168508177) is 4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one is O=C1CC(CCl)CN1CC(F)F.
What is the InChIKey of 4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one?
The InChIKey is KIPGNYVPTDWLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2NO/c8-2-5-1-7(12)11(3-5)4-6(9)10/h5-6H,1-4H2.
What are the key properties of 4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one has a molecular weight of 197.61 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 168508177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).