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

C12H13F4N — CID 16679514

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine
SMILESFc1ccc(C2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C12H13F4N/c13-11-2-1-9(7-10(11)12(14,15)16)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6H2
InChIKeyTVTDLADKLMEDRE-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.31
Rot. Bonds1

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

4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine (PubChem CID 16679514) has the molecular formula C12H13F4N and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine
PubChem CID16679514
Molecular FormulaC12H13F4N
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine
SMILESFc1ccc(C2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C12H13F4N/c13-11-2-1-9(7-10(11)12(14,15)16)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6H2
InChIKeyTVTDLADKLMEDRE-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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine (CID 16679514) is 4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine is Fc1ccc(C2CCNCC2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine?
The InChIKey is TVTDLADKLMEDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N/c13-11-2-1-9(7-10(11)12(14,15)16)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6H2.
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine?
4-[4-fluoro-3-(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-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 16679514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).