1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane

C15H24F2O — CID 20645959

IUPAC1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane
SMILESC=CC1CCC(C2CCC(OC)C(F)C2F)CC1
InChIInChI=1S/C15H24F2O/c1-3-10-4-6-11(7-5-10)12-8-9-13(18-2)15(17)14(12)16/h3,10-15H,1,4-9H2,2H3
InChIKeyCVTAKRWFRNIENF-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.08
Rot. Bonds3

About 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane

1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane (PubChem CID 20645959) has the molecular formula C15H24F2O and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane
PubChem CID20645959
Molecular FormulaC15H24F2O
Molecular Weight258.35 g/mol
Exact Mass258.18
IUPAC Name1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane
SMILESC=CC1CCC(C2CCC(OC)C(F)C2F)CC1
InChIInChI=1S/C15H24F2O/c1-3-10-4-6-11(7-5-10)12-8-9-13(18-2)15(17)14(12)16/h3,10-15H,1,4-9H2,2H3
InChIKeyCVTAKRWFRNIENF-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane?
The IUPAC name of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane (CID 20645959) is 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane is C=CC1CCC(C2CCC(OC)C(F)C2F)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane?
The InChIKey is CVTAKRWFRNIENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O/c1-3-10-4-6-11(7-5-10)12-8-9-13(18-2)15(17)14(12)16/h3,10-15H,1,4-9H2,2H3.
What are the key properties of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane?
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane has a molecular weight of 258.35 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane is sourced from PubChem (CID 20645959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).