3-(2,2-dimethylhexyl)-3-fluorooxetane

C11H21FO — CID 134199640

IUPAC3-(2,2-dimethylhexyl)-3-fluorooxetane
SMILESCCCCC(C)(C)CC1(F)COC1
InChIInChI=1S/C11H21FO/c1-4-5-6-10(2,3)7-11(12)8-13-9-11/h4-9H2,1-3H3
InChIKeyJXZYEJBCXDLGAF-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.33
Rot. Bonds5

About 3-(2,2-dimethylhexyl)-3-fluorooxetane

3-(2,2-dimethylhexyl)-3-fluorooxetane (PubChem CID 134199640) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 3-(2,2-dimethylhexyl)-3-fluorooxetane.

Molecular Properties

Compound Name3-(2,2-dimethylhexyl)-3-fluorooxetane
PubChem CID134199640
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name3-(2,2-dimethylhexyl)-3-fluorooxetane
SMILESCCCCC(C)(C)CC1(F)COC1
InChIInChI=1S/C11H21FO/c1-4-5-6-10(2,3)7-11(12)8-13-9-11/h4-9H2,1-3H3
InChIKeyJXZYEJBCXDLGAF-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2,2-dimethylhexyl)-3-fluorooxetane 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-(2,2-dimethylhexyl)-3-fluorooxetane?
The IUPAC name of 3-(2,2-dimethylhexyl)-3-fluorooxetane (CID 134199640) is 3-(2,2-dimethylhexyl)-3-fluorooxetane.
What is the SMILES notation for 3-(2,2-dimethylhexyl)-3-fluorooxetane?
The canonical SMILES for 3-(2,2-dimethylhexyl)-3-fluorooxetane is CCCCC(C)(C)CC1(F)COC1.
What is the InChIKey of 3-(2,2-dimethylhexyl)-3-fluorooxetane?
The InChIKey is JXZYEJBCXDLGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-4-5-6-10(2,3)7-11(12)8-13-9-11/h4-9H2,1-3H3.
What are the key properties of 3-(2,2-dimethylhexyl)-3-fluorooxetane?
3-(2,2-dimethylhexyl)-3-fluorooxetane has a molecular weight of 188.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhexyl)-3-fluorooxetane is sourced from PubChem (CID 134199640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).