1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene

C25H40F2 — CID 22373156

IUPAC1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene
SMILESCCCCCC1CCC(CCC2CCC(C3(F)C=CCC=C3F)CC2)CC1
InChIInChI=1S/C25H40F2/c1-2-3-4-7-20-9-11-21(12-10-20)13-14-22-15-17-23(18-16-22)25(27)19-6-5-8-24(25)26/h6,8,19-23H,2-5,7,9-18H2,1H3
InChIKeyREPDBRFCTQLBMS-UHFFFAOYSA-N
MW378.59 g/mol
LogP8.48
Rot. Bonds8

About 1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene

1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene (PubChem CID 22373156) has the molecular formula C25H40F2 and a molecular weight of 378.59 g/mol. Its IUPAC name is 1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene.

Molecular Properties

Compound Name1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene
PubChem CID22373156
Molecular FormulaC25H40F2
Molecular Weight378.59 g/mol
Exact Mass378.31
IUPAC Name1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene
SMILESCCCCCC1CCC(CCC2CCC(C3(F)C=CCC=C3F)CC2)CC1
InChIInChI=1S/C25H40F2/c1-2-3-4-7-20-9-11-21(12-10-20)13-14-22-15-17-23(18-16-22)25(27)19-6-5-8-24(25)26/h6,8,19-23H,2-5,7,9-18H2,1H3
InChIKeyREPDBRFCTQLBMS-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.59
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene 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 1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene?
The IUPAC name of 1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene (CID 22373156) is 1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene.
What is the SMILES notation for 1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene?
The canonical SMILES for 1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene is CCCCCC1CCC(CCC2CCC(C3(F)C=CCC=C3F)CC2)CC1.
What is the InChIKey of 1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene?
The InChIKey is REPDBRFCTQLBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40F2/c1-2-3-4-7-20-9-11-21(12-10-20)13-14-22-15-17-23(18-16-22)25(27)19-6-5-8-24(25)26/h6,8,19-23H,2-5,7,9-18H2,1H3.
What are the key properties of 1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene?
1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene has a molecular weight of 378.59 g/mol, XLogP of 8.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-6-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene is sourced from PubChem (CID 22373156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).