1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane

C15H24F2O — CID 20645954

IUPAC1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
SMILESC=COC1CCC(C2CCC(C)CC2)C(F)C1F
InChIInChI=1S/C15H24F2O/c1-3-18-13-9-8-12(14(16)15(13)17)11-6-4-10(2)5-7-11/h3,10-15H,1,4-9H2,2H3
InChIKeyHAFGUCBJJKAYEW-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.43
Rot. Bonds3

About 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane

1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 20645954) has the molecular formula C15H24F2O and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
PubChem CID20645954
Molecular FormulaC15H24F2O
Molecular Weight258.35 g/mol
Exact Mass258.18
IUPAC Name1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
SMILESC=COC1CCC(C2CCC(C)CC2)C(F)C1F
InChIInChI=1S/C15H24F2O/c1-3-18-13-9-8-12(14(16)15(13)17)11-6-4-10(2)5-7-11/h3,10-15H,1,4-9H2,2H3
InChIKeyHAFGUCBJJKAYEW-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.43
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-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane (CID 20645954) is 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane is C=COC1CCC(C2CCC(C)CC2)C(F)C1F.
What is the InChIKey of 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is HAFGUCBJJKAYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O/c1-3-18-13-9-8-12(14(16)15(13)17)11-6-4-10(2)5-7-11/h3,10-15H,1,4-9H2,2H3.
What are the key properties of 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane?
1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 258.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 20645954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).