1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene

C15H23F3 — CID 20578461

IUPAC1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene
SMILESCC1=C(C(F)(F)F)CC(C2CCC(C)CC2)CC1
InChIInChI=1S/C15H23F3/c1-10-3-6-12(7-4-10)13-8-5-11(2)14(9-13)15(16,17)18/h10,12-13H,3-9H2,1-2H3
InChIKeyANUXMXFLSJXPMY-UHFFFAOYSA-N
MW260.34 g/mol
LogP5.49
Rot. Bonds1

About 1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene

1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene (PubChem CID 20578461) has the molecular formula C15H23F3 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene
PubChem CID20578461
Molecular FormulaC15H23F3
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC Name1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene
SMILESCC1=C(C(F)(F)F)CC(C2CCC(C)CC2)CC1
InChIInChI=1S/C15H23F3/c1-10-3-6-12(7-4-10)13-8-5-11(2)14(9-13)15(16,17)18/h10,12-13H,3-9H2,1-2H3
InChIKeyANUXMXFLSJXPMY-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 19933652
1,4,5,5,6,6-Hexafluoro-2,3-dimethylbicyclo[2.2.2]oct-2-ene
CID 589036
[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane
CID 11747114
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1-Tert-butyl-4-(1-fluoroethylidene)cyclohexane
CID 11355891
1-(Difluoromethylidene)-3-(4-pentylcyclohexyl)cyclohexane
CID 18396518
4-(trans-4-Propylcyclohexyl)-1-trifluoromethylcyclohex-1-ene
CID 19763109
1-[3-(Difluoromethylidene)cyclobutyl]-4-propylcyclohexane
CID 20096161
1-Butyl-4-[3-(difluoromethylidene)cyclobutyl]cyclohexane
CID 20096175
1-[3-(Difluoromethylidene)cyclobutyl]-4-ethylcyclohexane
CID 20096176
1-[2,2-Difluoro-1-(4-methylcyclohexyl)ethenyl]-4-methylcyclohexane
CID 22983391

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene?
The IUPAC name of 1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene (CID 20578461) is 1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene is CC1=C(C(F)(F)F)CC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene?
The InChIKey is ANUXMXFLSJXPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3/c1-10-3-6-12(7-4-10)13-8-5-11(2)14(9-13)15(16,17)18/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene?
1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene has a molecular weight of 260.34 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 20578461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).