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

C14H17F4N — CID 107290040

IUPAC3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine
SMILESCCC1CNCCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H17F4N/c1-2-9-8-19-6-5-11(9)10-3-4-12(13(15)7-10)14(16,17)18/h3-4,7,9,11,19H,2,5-6,8H2,1H3
InChIKeyDNCOZXWIMIILOC-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.95
Rot. Bonds2

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

3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine (PubChem CID 107290040) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine
PubChem CID107290040
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine
SMILESCCC1CNCCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H17F4N/c1-2-9-8-19-6-5-11(9)10-3-4-12(13(15)7-10)14(16,17)18/h3-4,7,9,11,19H,2,5-6,8H2,1H3
InChIKeyDNCOZXWIMIILOC-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine (CID 107290040) is 3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine is CCC1CNCCC1c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is DNCOZXWIMIILOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-2-9-8-19-6-5-11(9)10-3-4-12(13(15)7-10)14(16,17)18/h3-4,7,9,11,19H,2,5-6,8H2,1H3.
What are the key properties of 3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine?
3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 275.29 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 107290040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).