4-(2,2-difluoroethylimino)oxolan-2-one

C6H7F2NO2 — CID 91053419

IUPAC4-(2,2-difluoroethylimino)oxolan-2-one
SMILESO=C1C/C(=N/CC(F)F)CO1
InChIInChI=1S/C6H7F2NO2/c7-5(8)2-9-4-1-6(10)11-3-4/h5H,1-3H2/b9-4-
InChIKeyCKYPJRQPRMEQQS-WTKPLQERSA-N
MW163.12 g/mol
LogP0.64
Rot. Bonds2

About 4-(2,2-difluoroethylimino)oxolan-2-one

4-(2,2-difluoroethylimino)oxolan-2-one (PubChem CID 91053419) has the molecular formula C6H7F2NO2 and a molecular weight of 163.12 g/mol. Its IUPAC name is 4-(2,2-difluoroethylimino)oxolan-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethylimino)oxolan-2-one
PubChem CID91053419
Molecular FormulaC6H7F2NO2
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name4-(2,2-difluoroethylimino)oxolan-2-one
SMILESO=C1C/C(=N/CC(F)F)CO1
InChIInChI=1S/C6H7F2NO2/c7-5(8)2-9-4-1-6(10)11-3-4/h5H,1-3H2/b9-4-
InChIKeyCKYPJRQPRMEQQS-WTKPLQERSA-N
XLogP0.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(2,2-difluoroethylimino)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

Related Compounds

4-ethyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
CID 102120437
Ethyl 3-ethylimino-4,4,4-trifluorobutanoate
CID 83401125
4-(2-Fluoroethylimino)oxolan-2-one
CID 91395027
Ethyl 4,4,4-trifluoro-3-propyliminobutanoate
CID 118376946
4-Methyliminooxolan-2-one
CID 57316605
4-Propyliminooxolan-2-one
CID 91052829
4-Ethyliminooxolan-2-one
CID 91255105
3-Methyliminooxolan-2-one
CID 140357637

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylimino)oxolan-2-one?
The IUPAC name of 4-(2,2-difluoroethylimino)oxolan-2-one (CID 91053419) is 4-(2,2-difluoroethylimino)oxolan-2-one.
What is the SMILES notation for 4-(2,2-difluoroethylimino)oxolan-2-one?
The canonical SMILES for 4-(2,2-difluoroethylimino)oxolan-2-one is O=C1C/C(=N/CC(F)F)CO1.
What is the InChIKey of 4-(2,2-difluoroethylimino)oxolan-2-one?
The InChIKey is CKYPJRQPRMEQQS-WTKPLQERSA-N. The full InChI is InChI=1S/C6H7F2NO2/c7-5(8)2-9-4-1-6(10)11-3-4/h5H,1-3H2/b9-4-.
What are the key properties of 4-(2,2-difluoroethylimino)oxolan-2-one?
4-(2,2-difluoroethylimino)oxolan-2-one has a molecular weight of 163.12 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylimino)oxolan-2-one is sourced from PubChem (CID 91053419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).