[1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane

C15H23F3O — CID 174691238

IUPAC[1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane
SMILESFC(F)(F)OC=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H23F3O/c16-15(17,18)19-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13H,1-10H2
InChIKeyCFYIXAIHRVWKHH-UHFFFAOYSA-N
MW276.34 g/mol
LogP5.57
Rot. Bonds3

About [1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane

[1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane (PubChem CID 174691238) has the molecular formula C15H23F3O and a molecular weight of 276.34 g/mol. Its IUPAC name is [1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane.

Molecular Properties

Compound Name[1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane
PubChem CID174691238
Molecular FormulaC15H23F3O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name[1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane
SMILESFC(F)(F)OC=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H23F3O/c16-15(17,18)19-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13H,1-10H2
InChIKeyCFYIXAIHRVWKHH-UHFFFAOYSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.34
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

cyclopentane;1,1-difluoro-2-(trifluoromethoxy)ethene
CID 175120535
1-cyclohexyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
CID 177313013
cyclohexanecarbonyl fluoride
CID 11159344
cyclohexanecarboxylic acid;octahydrate
CID 175413747
[(E)-2-cyano-1-cyclopentylethenyl] trifluoromethanesulfonate
CID 154678249
cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone
CID 114962182
2,2-dicyclohexylethenyl(oxo)phosphanium
CID 154178195
3-(cyclohexanecarbonyloxy)-3-cyclohexyl-2,2-difluoropropanoic acid
CID 164746616
1-cyclopentyl-2,2,2-trifluoroethanone
CID 15002815
chloromethane;cyclohexanecarboxylic acid
CID 160928112
cyclotetracosanecarboxylic acid
CID 176986816
cyclohexanecarboxylic acid
CID 11286469

Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane?
The IUPAC name of [1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane (CID 174691238) is [1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane.
What is the SMILES notation for [1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane?
The canonical SMILES for [1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane is FC(F)(F)OC=C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane?
The InChIKey is CFYIXAIHRVWKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O/c16-15(17,18)19-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13H,1-10H2.
What are the key properties of [1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane?
[1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane has a molecular weight of 276.34 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane is sourced from PubChem (CID 174691238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).