2-(3-fluoro-3-methylbutyl)oxirane

C7H13FO — CID 58350254

IUPAC2-(3-fluoro-3-methylbutyl)oxirane
SMILESCC(C)(F)CCC1CO1
InChIInChI=1S/C7H13FO/c1-7(2,8)4-3-6-5-9-6/h6H,3-5H2,1-2H3
InChIKeyDPZZUHRGWNDMCO-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.91
Rot. Bonds3

About 2-(3-fluoro-3-methylbutyl)oxirane

2-(3-fluoro-3-methylbutyl)oxirane (PubChem CID 58350254) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylbutyl)oxirane.

Molecular Properties

Compound Name2-(3-fluoro-3-methylbutyl)oxirane
PubChem CID58350254
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name2-(3-fluoro-3-methylbutyl)oxirane
SMILESCC(C)(F)CCC1CO1
InChIInChI=1S/C7H13FO/c1-7(2,8)4-3-6-5-9-6/h6H,3-5H2,1-2H3
InChIKeyDPZZUHRGWNDMCO-UHFFFAOYSA-N
XLogP1.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(3-fluoro-3-methylbutyl)oxirane 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 2-(3-fluoro-3-methylbutyl)oxirane?
The IUPAC name of 2-(3-fluoro-3-methylbutyl)oxirane (CID 58350254) is 2-(3-fluoro-3-methylbutyl)oxirane.
What is the SMILES notation for 2-(3-fluoro-3-methylbutyl)oxirane?
The canonical SMILES for 2-(3-fluoro-3-methylbutyl)oxirane is CC(C)(F)CCC1CO1.
What is the InChIKey of 2-(3-fluoro-3-methylbutyl)oxirane?
The InChIKey is DPZZUHRGWNDMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-7(2,8)4-3-6-5-9-6/h6H,3-5H2,1-2H3.
What are the key properties of 2-(3-fluoro-3-methylbutyl)oxirane?
2-(3-fluoro-3-methylbutyl)oxirane has a molecular weight of 132.18 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3-methylbutyl)oxirane is sourced from PubChem (CID 58350254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).