4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one

C6H8F3NO — CID 67519514

IUPAC4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(C(F)F)CN1CF
InChIInChI=1S/C6H8F3NO/c7-3-10-2-4(6(8)9)1-5(10)11/h4,6H,1-3H2
InChIKeyJJCRWTGTZBYMRA-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.03
Rot. Bonds2

About 4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one

4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one (PubChem CID 67519514) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one
PubChem CID67519514
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(C(F)F)CN1CF
InChIInChI=1S/C6H8F3NO/c7-3-10-2-4(6(8)9)1-5(10)11/h4,6H,1-3H2
InChIKeyJJCRWTGTZBYMRA-UHFFFAOYSA-N
XLogP1.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-(difluoromethyl)-1-(fluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one (CID 67519514) is 4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one is O=C1CC(C(F)F)CN1CF.
What is the InChIKey of 4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is JJCRWTGTZBYMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-3-10-2-4(6(8)9)1-5(10)11/h4,6H,1-3H2.
What are the key properties of 4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one?
4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 167.13 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 67519514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).