5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine

C16H22F3N — CID 19765742

IUPAC5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine
SMILESCCCCC1CCC(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C16H22F3N/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(20-11-14)16(17,18)19/h9-13H,2-8H2,1H3
InChIKeyDICOMRHWHMHZGS-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.56
Rot. Bonds4

About 5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine

5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine (PubChem CID 19765742) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine
PubChem CID19765742
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine
SMILESCCCCC1CCC(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C16H22F3N/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(20-11-14)16(17,18)19/h9-13H,2-8H2,1H3
InChIKeyDICOMRHWHMHZGS-UHFFFAOYSA-N
XLogP5.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786067
5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786062
5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine
CID 19765365
5-cyclobutyl-2-(trifluoromethyl)pyridine
CID 167467785
5-cyclohexyl-2-(trifluoromethyl)pyridine
CID 138976575
5-(4-butylcyclohexyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine
CID 15114350
5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine
CID 19101330
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane
CID 145255290
5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine
CID 19765470

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine (CID 19765742) is 5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine is CCCCC1CCC(c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of 5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine?
The InChIKey is DICOMRHWHMHZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(20-11-14)16(17,18)19/h9-13H,2-8H2,1H3.
What are the key properties of 5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine?
5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine has a molecular weight of 285.35 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 19765742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).