3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine

C14H16Cl2F3N — CID 115985083

IUPAC3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine
SMILESFC(F)(F)C1CCCC(C(Cl)Cc2ccncc2Cl)C1
InChIInChI=1S/C14H16Cl2F3N/c15-12(7-10-4-5-20-8-13(10)16)9-2-1-3-11(6-9)14(17,18)19/h4-5,8-9,11-12H,1-3,6-7H2
InChIKeyFIOMMWGIINLQDT-UHFFFAOYSA-N
MW326.19 g/mol
LogP5.25
Rot. Bonds3

About 3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine

3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine (PubChem CID 115985083) has the molecular formula C14H16Cl2F3N and a molecular weight of 326.19 g/mol. Its IUPAC name is 3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine
PubChem CID115985083
Molecular FormulaC14H16Cl2F3N
Molecular Weight326.19 g/mol
Exact Mass325.06
IUPAC Name3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine
SMILESFC(F)(F)C1CCCC(C(Cl)Cc2ccncc2Cl)C1
InChIInChI=1S/C14H16Cl2F3N/c15-12(7-10-4-5-20-8-13(10)16)9-2-1-3-11(6-9)14(17,18)19/h4-5,8-9,11-12H,1-3,6-7H2
InChIKeyFIOMMWGIINLQDT-UHFFFAOYSA-N
XLogP5.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.19
LogP ≤ 55.25
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-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 115984863
4-[2-(4-butylcyclohexyl)-2-chloroethyl]-3-chloropyridine
CID 115985104
3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 112655896
4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine
CID 112655850
N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105180006
2-[1-chloro-2-(3-chloro-4-pyridinyl)ethyl]thiane 1,1-dioxide
CID 113422574
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655734
3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569757
4-[2-bromo-2-(3,3-difluorocyclohexyl)ethyl]-3-chloropyridine
CID 114226792
3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine
CID 112655937
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655545
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655798

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine?
The IUPAC name of 3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine (CID 115985083) is 3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine.
What is the SMILES notation for 3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine?
The canonical SMILES for 3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine is FC(F)(F)C1CCCC(C(Cl)Cc2ccncc2Cl)C1.
What is the InChIKey of 3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine?
The InChIKey is FIOMMWGIINLQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2F3N/c15-12(7-10-4-5-20-8-13(10)16)9-2-1-3-11(6-9)14(17,18)19/h4-5,8-9,11-12H,1-3,6-7H2.
What are the key properties of 3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine?
3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine has a molecular weight of 326.19 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine is sourced from PubChem (CID 115985083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).