3-(2-butyl-2-methylhexyl)-3-fluorooxetane

C14H27FO — CID 138514596

IUPAC3-(2-butyl-2-methylhexyl)-3-fluorooxetane
SMILESCCCCC(C)(CCCC)CC1(F)COC1
InChIInChI=1S/C14H27FO/c1-4-6-8-13(3,9-7-5-2)10-14(15)11-16-12-14/h4-12H2,1-3H3
InChIKeyMRQBHHSFXXZUKK-UHFFFAOYSA-N
MW230.37 g/mol
LogP4.50
Rot. Bonds8

About 3-(2-butyl-2-methylhexyl)-3-fluorooxetane

3-(2-butyl-2-methylhexyl)-3-fluorooxetane (PubChem CID 138514596) has the molecular formula C14H27FO and a molecular weight of 230.37 g/mol. Its IUPAC name is 3-(2-butyl-2-methylhexyl)-3-fluorooxetane.

Molecular Properties

Compound Name3-(2-butyl-2-methylhexyl)-3-fluorooxetane
PubChem CID138514596
Molecular FormulaC14H27FO
Molecular Weight230.37 g/mol
Exact Mass230.20
IUPAC Name3-(2-butyl-2-methylhexyl)-3-fluorooxetane
SMILESCCCCC(C)(CCCC)CC1(F)COC1
InChIInChI=1S/C14H27FO/c1-4-6-8-13(3,9-7-5-2)10-14(15)11-16-12-14/h4-12H2,1-3H3
InChIKeyMRQBHHSFXXZUKK-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2-butyl-2-methylhexyl)-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-butyl-2-methylhexyl)-3-fluorooxetane?
The IUPAC name of 3-(2-butyl-2-methylhexyl)-3-fluorooxetane (CID 138514596) is 3-(2-butyl-2-methylhexyl)-3-fluorooxetane.
What is the SMILES notation for 3-(2-butyl-2-methylhexyl)-3-fluorooxetane?
The canonical SMILES for 3-(2-butyl-2-methylhexyl)-3-fluorooxetane is CCCCC(C)(CCCC)CC1(F)COC1.
What is the InChIKey of 3-(2-butyl-2-methylhexyl)-3-fluorooxetane?
The InChIKey is MRQBHHSFXXZUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO/c1-4-6-8-13(3,9-7-5-2)10-14(15)11-16-12-14/h4-12H2,1-3H3.
What are the key properties of 3-(2-butyl-2-methylhexyl)-3-fluorooxetane?
3-(2-butyl-2-methylhexyl)-3-fluorooxetane has a molecular weight of 230.37 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butyl-2-methylhexyl)-3-fluorooxetane is sourced from PubChem (CID 138514596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).