1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane

C24H42F2O — CID 19842733

IUPAC1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
SMILESCCCCCCCCCCOC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C24H42F2O/c1-2-3-4-5-6-7-8-9-18-27-23-16-14-22(15-17-23)21-12-10-20(11-13-21)19-24(25)26/h19-23H,2-18H2,1H3
InChIKeyHEMOXQDIYJNIOF-UHFFFAOYSA-N
MW384.60 g/mol
LogP8.29
Rot. Bonds12

About 1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane

1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane (PubChem CID 19842733) has the molecular formula C24H42F2O and a molecular weight of 384.60 g/mol. Its IUPAC name is 1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
PubChem CID19842733
Molecular FormulaC24H42F2O
Molecular Weight384.60 g/mol
Exact Mass384.32
IUPAC Name1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
SMILESCCCCCCCCCCOC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C24H42F2O/c1-2-3-4-5-6-7-8-9-18-27-23-16-14-22(15-17-23)21-12-10-20(11-13-21)19-24(25)26/h19-23H,2-18H2,1H3
InChIKeyHEMOXQDIYJNIOF-UHFFFAOYSA-N
XLogP8.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane (CID 19842733) is 1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane is CCCCCCCCCCOC1CCC(C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
The InChIKey is HEMOXQDIYJNIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42F2O/c1-2-3-4-5-6-7-8-9-18-27-23-16-14-22(15-17-23)21-12-10-20(11-13-21)19-24(25)26/h19-23H,2-18H2,1H3.
What are the key properties of 1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane?
1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane has a molecular weight of 384.60 g/mol, XLogP of 8.29, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 19842733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).