3-(4-tert-butylphenyl)-3-fluorooxetane

C13H17FO — CID 138971634

IUPAC3-(4-tert-butylphenyl)-3-fluorooxetane
SMILESCC(C)(C)c1ccc(C2(F)COC2)cc1
InChIInChI=1S/C13H17FO/c1-12(2,3)10-4-6-11(7-5-10)13(14)8-15-9-13/h4-7H,8-9H2,1-3H3
InChIKeyDLOYGWAXXQGJFB-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.18
Rot. Bonds1

About 3-(4-tert-butylphenyl)-3-fluorooxetane

3-(4-tert-butylphenyl)-3-fluorooxetane (PubChem CID 138971634) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-3-fluorooxetane.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-3-fluorooxetane
PubChem CID138971634
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name3-(4-tert-butylphenyl)-3-fluorooxetane
SMILESCC(C)(C)c1ccc(C2(F)COC2)cc1
InChIInChI=1S/C13H17FO/c1-12(2,3)10-4-6-11(7-5-10)13(14)8-15-9-13/h4-7H,8-9H2,1-3H3
InChIKeyDLOYGWAXXQGJFB-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-3-fluorooxetane?
The IUPAC name of 3-(4-tert-butylphenyl)-3-fluorooxetane (CID 138971634) is 3-(4-tert-butylphenyl)-3-fluorooxetane.
What is the SMILES notation for 3-(4-tert-butylphenyl)-3-fluorooxetane?
The canonical SMILES for 3-(4-tert-butylphenyl)-3-fluorooxetane is CC(C)(C)c1ccc(C2(F)COC2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-3-fluorooxetane?
The InChIKey is DLOYGWAXXQGJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-12(2,3)10-4-6-11(7-5-10)13(14)8-15-9-13/h4-7H,8-9H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-3-fluorooxetane?
3-(4-tert-butylphenyl)-3-fluorooxetane has a molecular weight of 208.28 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-3-fluorooxetane is sourced from PubChem (CID 138971634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).