3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine

C10H8F5N — CID 107290823

IUPAC3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine
SMILESFc1ccc(C2(F)CNC2)cc1C(F)(F)F
InChIInChI=1S/C10H8F5N/c11-8-2-1-6(9(12)4-16-5-9)3-7(8)10(13,14)15/h1-3,16H,4-5H2
InChIKeyALNKUYLYGKRQSF-UHFFFAOYSA-N
MW237.17 g/mol
LogP2.61
Rot. Bonds1

About 3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine

3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine (PubChem CID 107290823) has the molecular formula C10H8F5N and a molecular weight of 237.17 g/mol. Its IUPAC name is 3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine.

Molecular Properties

Compound Name3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine
PubChem CID107290823
Molecular FormulaC10H8F5N
Molecular Weight237.17 g/mol
Exact Mass237.06
IUPAC Name3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine
SMILESFc1ccc(C2(F)CNC2)cc1C(F)(F)F
InChIInChI=1S/C10H8F5N/c11-8-2-1-6(9(12)4-16-5-9)3-7(8)10(13,14)15/h1-3,16H,4-5H2
InChIKeyALNKUYLYGKRQSF-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine 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-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine?
The IUPAC name of 3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine (CID 107290823) is 3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine.
What is the SMILES notation for 3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine?
The canonical SMILES for 3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine is Fc1ccc(C2(F)CNC2)cc1C(F)(F)F.
What is the InChIKey of 3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine?
The InChIKey is ALNKUYLYGKRQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N/c11-8-2-1-6(9(12)4-16-5-9)3-7(8)10(13,14)15/h1-3,16H,4-5H2.
What are the key properties of 3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine?
3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine has a molecular weight of 237.17 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine is sourced from PubChem (CID 107290823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).