1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane

C17H27F3 — CID 101139962

IUPAC1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane
SMILESCCC1CCC(/C=C/C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H27F3/c1-2-13-3-5-14(6-4-13)7-8-15-9-11-16(12-10-15)17(18,19)20/h7-8,13-16H,2-6,9-12H2,1H3/b8-7+
InChIKeyAYLVMGOJEUXNIV-BQYQJAHWSA-N
MW288.40 g/mol
LogP6.13
Rot. Bonds3

About 1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane

1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane (PubChem CID 101139962) has the molecular formula C17H27F3 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane
PubChem CID101139962
Molecular FormulaC17H27F3
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane
SMILESCCC1CCC(/C=C/C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H27F3/c1-2-13-3-5-14(6-4-13)7-8-15-9-11-16(12-10-15)17(18,19)20/h7-8,13-16H,2-6,9-12H2,1H3/b8-7+
InChIKeyAYLVMGOJEUXNIV-BQYQJAHWSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.40
LogP ≤ 56.13
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

1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane
CID 140739356
1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane
CID 101139965
1-(2-bromoethenyl)-4-ethylcyclohexane
CID 173341809
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105155375
[(4-ethylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105313107
1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756338
1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane
CID 71231425
1-ethyl-4-(2-methoxyethenyl)cyclohexane
CID 91328086
6-(4-ethylcyclohexyl)-13-[4-(trifluoromethyl)cyclohexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59469720
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane (CID 101139962) is 1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane is CCC1CCC(/C=C/C2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane?
The InChIKey is AYLVMGOJEUXNIV-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H27F3/c1-2-13-3-5-14(6-4-13)7-8-15-9-11-16(12-10-15)17(18,19)20/h7-8,13-16H,2-6,9-12H2,1H3/b8-7+.
What are the key properties of 1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane?
1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane has a molecular weight of 288.40 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane is sourced from PubChem (CID 101139962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).