5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine

C13H17F6N — CID 5231211

IUPAC5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)C1=CCC(C2CCCC(C(F)(F)F)C2)NC1
InChIInChI=1S/C13H17F6N/c14-12(15,16)9-3-1-2-8(6-9)11-5-4-10(7-20-11)13(17,18)19/h4,8-9,11,20H,1-3,5-7H2
InChIKeyFKLIYKHTOGUARR-UHFFFAOYSA-N
MW301.27 g/mol
LogP4.21
Rot. Bonds1

About 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine

5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine (PubChem CID 5231211) has the molecular formula C13H17F6N and a molecular weight of 301.27 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine
PubChem CID5231211
Molecular FormulaC13H17F6N
Molecular Weight301.27 g/mol
Exact Mass301.13
IUPAC Name5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)C1=CCC(C2CCCC(C(F)(F)F)C2)NC1
InChIInChI=1S/C13H17F6N/c14-12(15,16)9-3-1-2-8(6-9)11-5-4-10(7-20-11)13(17,18)19/h4,8-9,11,20H,1-3,5-7H2
InChIKeyFKLIYKHTOGUARR-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine (CID 5231211) is 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine is FC(F)(F)C1=CCC(C2CCCC(C(F)(F)F)C2)NC1.
What is the InChIKey of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is FKLIYKHTOGUARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F6N/c14-12(15,16)9-3-1-2-8(6-9)11-5-4-10(7-20-11)13(17,18)19/h4,8-9,11,20H,1-3,5-7H2.
What are the key properties of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine?
5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 301.27 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 5231211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).