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

C13H14F5N — CID 107290834

IUPAC3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFc1ccc(C(F)C2CCCNC2)cc1C(F)(F)F
InChIInChI=1S/C13H14F5N/c14-11-4-3-8(6-10(11)13(16,17)18)12(15)9-2-1-5-19-7-9/h3-4,6,9,12,19H,1-2,5,7H2
InChIKeyYQXPOHREMIGMKW-UHFFFAOYSA-N
MW279.25 g/mol
LogP3.85
Rot. Bonds2

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

3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 107290834) has the molecular formula C13H14F5N and a molecular weight of 279.25 g/mol. Its IUPAC name is 3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID107290834
Molecular FormulaC13H14F5N
Molecular Weight279.25 g/mol
Exact Mass279.10
IUPAC Name3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFc1ccc(C(F)C2CCCNC2)cc1C(F)(F)F
InChIInChI=1S/C13H14F5N/c14-11-4-3-8(6-10(11)13(16,17)18)12(15)9-2-1-5-19-7-9/h3-4,6,9,12,19H,1-2,5,7H2
InChIKeyYQXPOHREMIGMKW-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
CID 112565434
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(fluoro)methyl]piperidine
CID 112565451
3-[fluoro-(3-methoxyphenyl)methyl]piperidine
CID 84725285
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734
(1S,2R)-2-amino-1-cyclopentyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171159865
3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine
CID 102709283
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850
N-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 115053273
3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine
CID 112565315
3-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine
CID 112565433
(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 171159870

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine (CID 107290834) is 3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine is Fc1ccc(C(F)C2CCCNC2)cc1C(F)(F)F.
What is the InChIKey of 3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is YQXPOHREMIGMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5N/c14-11-4-3-8(6-10(11)13(16,17)18)12(15)9-2-1-5-19-7-9/h3-4,6,9,12,19H,1-2,5,7H2.
What are the key properties of 3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine?
3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 279.25 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 107290834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).