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

C15H24F2O — CID 174691241

IUPAC[1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane
SMILESFC(F)OC=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H24F2O/c16-15(17)18-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13,15H,1-10H2
InChIKeyPMHGQWJIWSPEJE-UHFFFAOYSA-N
MW258.35 g/mol
LogP5.27
Rot. Bonds4

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

[1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane (PubChem CID 174691241) has the molecular formula C15H24F2O and a molecular weight of 258.35 g/mol. Its IUPAC name is [1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane.

Molecular Properties

Compound Name[1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane
PubChem CID174691241
Molecular FormulaC15H24F2O
Molecular Weight258.35 g/mol
Exact Mass258.18
IUPAC Name[1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane
SMILESFC(F)OC=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H24F2O/c16-15(17)18-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13,15H,1-10H2
InChIKeyPMHGQWJIWSPEJE-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.35
LogP ≤ 55.27
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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Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane?
The IUPAC name of [1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane (CID 174691241) is [1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane.
What is the SMILES notation for [1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane?
The canonical SMILES for [1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane is FC(F)OC=C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane?
The InChIKey is PMHGQWJIWSPEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O/c16-15(17)18-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13,15H,1-10H2.
What are the key properties of [1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane?
[1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane has a molecular weight of 258.35 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane is sourced from PubChem (CID 174691241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).