4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine

C12H13F4N — CID 83392377

IUPAC4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
SMILESFc1cccc(C(F)(F)F)c1C1CCNCC1
InChIInChI=1S/C12H13F4N/c13-10-3-1-2-9(12(14,15)16)11(10)8-4-6-17-7-5-8/h1-3,8,17H,4-7H2
InChIKeyXPBJIHTUHJKNII-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.31
Rot. Bonds1

About 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine

4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine (PubChem CID 83392377) has the molecular formula C12H13F4N and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
PubChem CID83392377
Molecular FormulaC12H13F4N
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
SMILESFc1cccc(C(F)(F)F)c1C1CCNCC1
InChIInChI=1S/C12H13F4N/c13-10-3-1-2-9(12(14,15)16)11(10)8-4-6-17-7-5-8/h1-3,8,17H,4-7H2
InChIKeyXPBJIHTUHJKNII-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine 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 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine (CID 83392377) is 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine is Fc1cccc(C(F)(F)F)c1C1CCNCC1.
What is the InChIKey of 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine?
The InChIKey is XPBJIHTUHJKNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N/c13-10-3-1-2-9(12(14,15)16)11(10)8-4-6-17-7-5-8/h1-3,8,17H,4-7H2.
What are the key properties of 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine?
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine has a molecular weight of 247.23 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 83392377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).