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

C12H13F4N — CID 91662828

IUPAC4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccccc1C1(F)CCNCC1
InChIInChI=1S/C12H13F4N/c13-11(5-7-17-8-6-11)9-3-1-2-4-10(9)12(14,15)16/h1-4,17H,5-8H2
InChIKeyKCVHAPMAAYEFKQ-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.25
Rot. Bonds1

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

4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine (PubChem CID 91662828) has the molecular formula C12H13F4N and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine
PubChem CID91662828
Molecular FormulaC12H13F4N
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccccc1C1(F)CCNCC1
InChIInChI=1S/C12H13F4N/c13-11(5-7-17-8-6-11)9-3-1-2-4-10(9)12(14,15)16/h1-4,17H,5-8H2
InChIKeyKCVHAPMAAYEFKQ-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-4-(2-methylphenyl)piperidine
CID 69232265
tert-butyl formate;4-[2-(trifluoromethyl)phenyl]piperidin-4-ol
CID 174526882
4-(2-cyclobutylphenyl)-4-fluoropiperidine
CID 114607386
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 114697103
1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene
CID 172860633
4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 18998449
[3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 115051446
2,3-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 62353196
2-(3-fluoropyrrolidin-3-yl)aniline
CID 105438750
2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 66467423
(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine
CID 98774589
1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carbaldehyde
CID 59680954

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine (CID 91662828) is 4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine is FC(F)(F)c1ccccc1C1(F)CCNCC1.
What is the InChIKey of 4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine?
The InChIKey is KCVHAPMAAYEFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N/c13-11(5-7-17-8-6-11)9-3-1-2-4-10(9)12(14,15)16/h1-4,17H,5-8H2.
What are the key properties of 4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine?
4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine has a molecular weight of 247.23 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 91662828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).