2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine

C14H17F4N — CID 162069064

IUPAC2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine
SMILESCCC1CCC(c2ncc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H17F4N/c1-2-9-3-5-10(6-4-9)13-12(14(16,17)18)7-11(15)8-19-13/h7-10H,2-6H2,1H3
InChIKeyZAVIYZKLTWSCIO-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.92
Rot. Bonds2

About 2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine

2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine (PubChem CID 162069064) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine
PubChem CID162069064
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine
SMILESCCC1CCC(c2ncc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H17F4N/c1-2-9-3-5-10(6-4-9)13-12(14(16,17)18)7-11(15)8-19-13/h7-10H,2-6H2,1H3
InChIKeyZAVIYZKLTWSCIO-UHFFFAOYSA-N
XLogP4.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine (CID 162069064) is 2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine is CCC1CCC(c2ncc(F)cc2C(F)(F)F)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine?
The InChIKey is ZAVIYZKLTWSCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-2-9-3-5-10(6-4-9)13-12(14(16,17)18)7-11(15)8-19-13/h7-10H,2-6H2,1H3.
What are the key properties of 2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine?
2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine has a molecular weight of 275.29 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 162069064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).