3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one

C9H14FNO2 — CID 126991920

IUPAC3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one
SMILESCC1(F)CCN(C2CCOC2=O)C1
InChIInChI=1S/C9H14FNO2/c1-9(10)3-4-11(6-9)7-2-5-13-8(7)12/h7H,2-6H2,1H3
InChIKeyYZAGSMCDLOYHLV-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.74
Rot. Bonds1

About 3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one

3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one (PubChem CID 126991920) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one
PubChem CID126991920
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one
SMILESCC1(F)CCN(C2CCOC2=O)C1
InChIInChI=1S/C9H14FNO2/c1-9(10)3-4-11(6-9)7-2-5-13-8(7)12/h7H,2-6H2,1H3
InChIKeyYZAGSMCDLOYHLV-UHFFFAOYSA-N
XLogP0.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-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-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one?
The IUPAC name of 3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one (CID 126991920) is 3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one.
What is the SMILES notation for 3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one?
The canonical SMILES for 3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one is CC1(F)CCN(C2CCOC2=O)C1.
What is the InChIKey of 3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one?
The InChIKey is YZAGSMCDLOYHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-9(10)3-4-11(6-9)7-2-5-13-8(7)12/h7H,2-6H2,1H3.
What are the key properties of 3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one?
3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one has a molecular weight of 187.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-3-methylpyrrolidin-1-yl)oxolan-2-one is sourced from PubChem (CID 126991920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).