3-(1-fluoro-3,3-dimethylbutyl)oxetane

C9H17FO — CID 146536336

IUPAC3-(1-fluoro-3,3-dimethylbutyl)oxetane
SMILESCC(C)(C)CC(F)C1COC1
InChIInChI=1S/C9H17FO/c1-9(2,3)4-8(10)7-5-11-6-7/h7-8H,4-6H2,1-3H3
InChIKeyFBKBFKNCVZEHGZ-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.41
Rot. Bonds2

About 3-(1-fluoro-3,3-dimethylbutyl)oxetane

3-(1-fluoro-3,3-dimethylbutyl)oxetane (PubChem CID 146536336) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 3-(1-fluoro-3,3-dimethylbutyl)oxetane.

Molecular Properties

Compound Name3-(1-fluoro-3,3-dimethylbutyl)oxetane
PubChem CID146536336
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name3-(1-fluoro-3,3-dimethylbutyl)oxetane
SMILESCC(C)(C)CC(F)C1COC1
InChIInChI=1S/C9H17FO/c1-9(2,3)4-8(10)7-5-11-6-7/h7-8H,4-6H2,1-3H3
InChIKeyFBKBFKNCVZEHGZ-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(1-fluoro-3,3-dimethylbutyl)oxetane 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-(1-fluoro-3,3-dimethylbutyl)oxetane?
The IUPAC name of 3-(1-fluoro-3,3-dimethylbutyl)oxetane (CID 146536336) is 3-(1-fluoro-3,3-dimethylbutyl)oxetane.
What is the SMILES notation for 3-(1-fluoro-3,3-dimethylbutyl)oxetane?
The canonical SMILES for 3-(1-fluoro-3,3-dimethylbutyl)oxetane is CC(C)(C)CC(F)C1COC1.
What is the InChIKey of 3-(1-fluoro-3,3-dimethylbutyl)oxetane?
The InChIKey is FBKBFKNCVZEHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-9(2,3)4-8(10)7-5-11-6-7/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(1-fluoro-3,3-dimethylbutyl)oxetane?
3-(1-fluoro-3,3-dimethylbutyl)oxetane has a molecular weight of 160.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-3,3-dimethylbutyl)oxetane is sourced from PubChem (CID 146536336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).