4-(difluoromethyl)-1-ethylpyrrolidin-2-one

C7H11F2NO — CID 67255537

IUPAC4-(difluoromethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1CC(C(F)F)CC1=O
InChIInChI=1S/C7H11F2NO/c1-2-10-4-5(7(8)9)3-6(10)11/h5,7H,2-4H2,1H3
InChIKeyZWMBYUPBRWEIGF-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.12
Rot. Bonds2

About 4-(difluoromethyl)-1-ethylpyrrolidin-2-one

4-(difluoromethyl)-1-ethylpyrrolidin-2-one (PubChem CID 67255537) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-1-ethylpyrrolidin-2-one
PubChem CID67255537
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name4-(difluoromethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1CC(C(F)F)CC1=O
InChIInChI=1S/C7H11F2NO/c1-2-10-4-5(7(8)9)3-6(10)11/h5,7H,2-4H2,1H3
InChIKeyZWMBYUPBRWEIGF-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-(difluoromethyl)-1-ethylpyrrolidin-2-one (CID 67255537) is 4-(difluoromethyl)-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-(difluoromethyl)-1-ethylpyrrolidin-2-one is CCN1CC(C(F)F)CC1=O.
What is the InChIKey of 4-(difluoromethyl)-1-ethylpyrrolidin-2-one?
The InChIKey is ZWMBYUPBRWEIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-2-10-4-5(7(8)9)3-6(10)11/h5,7H,2-4H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-ethylpyrrolidin-2-one?
4-(difluoromethyl)-1-ethylpyrrolidin-2-one has a molecular weight of 163.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 67255537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).