2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine

C14H17ClF3N — CID 104622945

IUPAC2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine
SMILESFC(F)(F)C1CCCCC1C(Cl)Cc1ccccn1
InChIInChI=1S/C14H17ClF3N/c15-13(9-10-5-3-4-8-19-10)11-6-1-2-7-12(11)14(16,17)18/h3-5,8,11-13H,1-2,6-7,9H2
InChIKeyXGNZMYKPKXQPCL-UHFFFAOYSA-N
MW291.74 g/mol
LogP4.60
Rot. Bonds3

About 2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine

2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine (PubChem CID 104622945) has the molecular formula C14H17ClF3N and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine
PubChem CID104622945
Molecular FormulaC14H17ClF3N
Molecular Weight291.74 g/mol
Exact Mass291.10
IUPAC Name2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine
SMILESFC(F)(F)C1CCCCC1C(Cl)Cc1ccccn1
InChIInChI=1S/C14H17ClF3N/c15-13(9-10-5-3-4-8-19-10)11-6-1-2-7-12(11)14(16,17)18/h3-5,8,11-13H,1-2,6-7,9H2
InChIKeyXGNZMYKPKXQPCL-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 66461379
1-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]-2,3-difluorobenzene
CID 104622698
3-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]thiophene
CID 113434009
3-cyclopropyl-1-pyridin-2-ylbutan-2-amine
CID 83155129
[1-(7-bicyclo[4.1.0]heptanyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315370
N-methyl-1-(2-methylcyclopentyl)-2-pyridin-2-ylethanamine
CID 107179871
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
2-(2-cyclopropyl-3-methylbutyl)pyridine
CID 54206046
1-cyclohexyl-N-methyl-2-pyridin-2-ylethanamine
CID 60819908
[2-pyridin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105315358
(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)hydrazine
CID 105215565
[2-bromo-2-[2-(trifluoromethyl)cyclohexyl]ethyl]benzene
CID 104622691

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine?
The IUPAC name of 2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine (CID 104622945) is 2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine.
What is the SMILES notation for 2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine?
The canonical SMILES for 2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine is FC(F)(F)C1CCCCC1C(Cl)Cc1ccccn1.
What is the InChIKey of 2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine?
The InChIKey is XGNZMYKPKXQPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N/c15-13(9-10-5-3-4-8-19-10)11-6-1-2-7-12(11)14(16,17)18/h3-5,8,11-13H,1-2,6-7,9H2.
What are the key properties of 2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine?
2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine has a molecular weight of 291.74 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]pyridine is sourced from PubChem (CID 104622945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).