3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine

C14H17F4N — CID 112564921

IUPAC3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESCC(F)(c1cccc(C(F)(F)F)c1)C1CCCNC1
InChIInChI=1S/C14H17F4N/c1-13(15,12-6-3-7-19-9-12)10-4-2-5-11(8-10)14(16,17)18/h2,4-5,8,12,19H,3,6-7,9H2,1H3
InChIKeyMTTAAVNBTHTBPQ-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.89
Rot. Bonds2

About 3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine

3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine (PubChem CID 112564921) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
PubChem CID112564921
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESCC(F)(c1cccc(C(F)(F)F)c1)C1CCCNC1
InChIInChI=1S/C14H17F4N/c1-13(15,12-6-3-7-19-9-12)10-4-2-5-11(8-10)14(16,17)18/h2,4-5,8,12,19H,3,6-7,9H2,1H3
InChIKeyMTTAAVNBTHTBPQ-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine
CID 114523641
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
CID 112564951
3-[1-fluoro-1-(4-propan-2-ylphenyl)ethyl]piperidine
CID 112564886
[3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine
CID 115033504
3-(1-fluoro-1-piperidin-3-ylethyl)quinoline
CID 112564864
3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine
CID 112564829
4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
CID 84724888
(1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 125492642
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 119930674
3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine
CID 114736041
1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
CID 63586623

Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The IUPAC name of 3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine (CID 112564921) is 3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine.
What is the SMILES notation for 3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The canonical SMILES for 3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine is CC(F)(c1cccc(C(F)(F)F)c1)C1CCCNC1.
What is the InChIKey of 3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The InChIKey is MTTAAVNBTHTBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-13(15,12-6-3-7-19-9-12)10-4-2-5-11(8-10)14(16,17)18/h2,4-5,8,12,19H,3,6-7,9H2,1H3.
What are the key properties of 3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine has a molecular weight of 275.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine is sourced from PubChem (CID 112564921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).