5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine

C27H42F3N — CID 19765470

IUPAC5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine
SMILESCCCCCCCC1CCC(C2CCC(CCc3ccc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C27H42F3N/c1-2-3-4-5-6-7-21-10-15-24(16-11-21)25-17-12-22(13-18-25)8-9-23-14-19-26(31-20-23)27(28,29)30/h14,19-22,24-25H,2-13,15-18H2,1H3
InChIKeyLHRVTLBOOJMDEZ-UHFFFAOYSA-N
MW437.63 g/mol
LogP9.01
Rot. Bonds10

About 5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine

5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine (PubChem CID 19765470) has the molecular formula C27H42F3N and a molecular weight of 437.63 g/mol. Its IUPAC name is 5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine
PubChem CID19765470
Molecular FormulaC27H42F3N
Molecular Weight437.63 g/mol
Exact Mass437.33
IUPAC Name5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine
SMILESCCCCCCCC1CCC(C2CCC(CCc3ccc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C27H42F3N/c1-2-3-4-5-6-7-21-10-15-24(16-11-21)25-17-12-22(13-18-25)8-9-23-14-19-26(31-20-23)27(28,29)30/h14,19-22,24-25H,2-13,15-18H2,1H3
InChIKeyLHRVTLBOOJMDEZ-UHFFFAOYSA-N
XLogP9.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786062
5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786067
5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine
CID 70426657
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine
CID 23190634
1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54560708
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839728
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine
CID 19765742
5-nonyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839661
2-(4-heptylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 54214965

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine (CID 19765470) is 5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine is CCCCCCCC1CCC(C2CCC(CCc3ccc(C(F)(F)F)nc3)CC2)CC1.
What is the InChIKey of 5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine?
The InChIKey is LHRVTLBOOJMDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42F3N/c1-2-3-4-5-6-7-21-10-15-24(16-11-21)25-17-12-22(13-18-25)8-9-23-14-19-26(31-20-23)27(28,29)30/h14,19-22,24-25H,2-13,15-18H2,1H3.
What are the key properties of 5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine?
5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine has a molecular weight of 437.63 g/mol, XLogP of 9.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 19765470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).