1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane

C15H23F3O — CID 129043434

IUPAC1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H23F3O/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)19-15(16,17)18/h2,11-14H,1,3-10H2
InChIKeyYDFYBSJOWRCQNN-UHFFFAOYSA-N
MW276.34 g/mol
LogP5.07
Rot. Bonds3

About 1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane

1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane (PubChem CID 129043434) has the molecular formula C15H23F3O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
PubChem CID129043434
Molecular FormulaC15H23F3O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H23F3O/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)19-15(16,17)18/h2,11-14H,1,3-10H2
InChIKeyYDFYBSJOWRCQNN-UHFFFAOYSA-N
XLogP5.07
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 ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane (CID 129043434) is 1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane is C=CC1CCC(C2CCC(OC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane?
The InChIKey is YDFYBSJOWRCQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)19-15(16,17)18/h2,11-14H,1,3-10H2.
What are the key properties of 1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane?
1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane has a molecular weight of 276.34 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane is sourced from PubChem (CID 129043434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).