3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one

C7H10F3NO — CID 67255557

IUPAC3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1C(CC(F)F)CCN1CF
InChIInChI=1S/C7H10F3NO/c8-4-11-2-1-5(7(11)12)3-6(9)10/h5-6H,1-4H2
InChIKeyOLTLICAWFYGCGV-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.42
Rot. Bonds3

About 3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one

3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one (PubChem CID 67255557) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one
PubChem CID67255557
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1C(CC(F)F)CCN1CF
InChIInChI=1S/C7H10F3NO/c8-4-11-2-1-5(7(11)12)3-6(9)10/h5-6H,1-4H2
InChIKeyOLTLICAWFYGCGV-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one (CID 67255557) is 3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one is O=C1C(CC(F)F)CCN1CF.
What is the InChIKey of 3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is OLTLICAWFYGCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-4-11-2-1-5(7(11)12)3-6(9)10/h5-6H,1-4H2.
What are the key properties of 3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one?
3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 181.16 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 67255557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).