5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one

C7H10F3NO — CID 67254502

IUPAC5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CCC(CC(F)F)N1CF
InChIInChI=1S/C7H10F3NO/c8-4-11-5(3-6(9)10)1-2-7(11)12/h5-6H,1-4H2
InChIKeyHRDUGRPWRORQBS-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.56
Rot. Bonds3

About 5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one

5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one (PubChem CID 67254502) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one
PubChem CID67254502
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CCC(CC(F)F)N1CF
InChIInChI=1S/C7H10F3NO/c8-4-11-5(3-6(9)10)1-2-7(11)12/h5-6H,1-4H2
InChIKeyHRDUGRPWRORQBS-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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 5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one (CID 67254502) is 5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one is O=C1CCC(CC(F)F)N1CF.
What is the InChIKey of 5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is HRDUGRPWRORQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-4-11-5(3-6(9)10)1-2-7(11)12/h5-6H,1-4H2.
What are the key properties of 5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one?
5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 181.16 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 67254502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).