3-(2-fluoroethyl)-1-methylpyrrolidin-2-one

C7H12FNO — CID 67254194

IUPAC3-(2-fluoroethyl)-1-methylpyrrolidin-2-one
SMILESCN1CCC(CCF)C1=O
InChIInChI=1S/C7H12FNO/c1-9-5-3-6(2-4-8)7(9)10/h6H,2-5H2,1H3
InChIKeyVQIAWRMDIXQUNO-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.82
Rot. Bonds2

About 3-(2-fluoroethyl)-1-methylpyrrolidin-2-one

3-(2-fluoroethyl)-1-methylpyrrolidin-2-one (PubChem CID 67254194) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-fluoroethyl)-1-methylpyrrolidin-2-one
PubChem CID67254194
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name3-(2-fluoroethyl)-1-methylpyrrolidin-2-one
SMILESCN1CCC(CCF)C1=O
InChIInChI=1S/C7H12FNO/c1-9-5-3-6(2-4-8)7(9)10/h6H,2-5H2,1H3
InChIKeyVQIAWRMDIXQUNO-UHFFFAOYSA-N
XLogP0.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2-fluoroethyl)-1-methylpyrrolidin-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 3-(2-fluoroethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(2-fluoroethyl)-1-methylpyrrolidin-2-one (CID 67254194) is 3-(2-fluoroethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(2-fluoroethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(2-fluoroethyl)-1-methylpyrrolidin-2-one is CN1CCC(CCF)C1=O.
What is the InChIKey of 3-(2-fluoroethyl)-1-methylpyrrolidin-2-one?
The InChIKey is VQIAWRMDIXQUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-9-5-3-6(2-4-8)7(9)10/h6H,2-5H2,1H3.
What are the key properties of 3-(2-fluoroethyl)-1-methylpyrrolidin-2-one?
3-(2-fluoroethyl)-1-methylpyrrolidin-2-one has a molecular weight of 145.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 67254194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).