6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene

C25H20F4 — CID 139846583

IUPAC6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene
SMILESCc1cc(F)c(C#CC2CCC(c3ccc4cc(F)c(F)cc4c3)CC2)c(F)c1
InChIInChI=1S/C25H20F4/c1-15-10-22(26)21(23(27)11-15)9-4-16-2-5-17(6-3-16)18-7-8-19-13-24(28)25(29)14-20(19)12-18/h7-8,10-14,16-17H,2-3,5-6H2,1H3
InChIKeyCPUZUPZVNPHZJM-UHFFFAOYSA-N
MW396.43 g/mol
LogP7.03
Rot. Bonds1

About 6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene

6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene (PubChem CID 139846583) has the molecular formula C25H20F4 and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene.

Molecular Properties

Compound Name6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene
PubChem CID139846583
Molecular FormulaC25H20F4
Molecular Weight396.43 g/mol
Exact Mass396.15
IUPAC Name6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene
SMILESCc1cc(F)c(C#CC2CCC(c3ccc4cc(F)c(F)cc4c3)CC2)c(F)c1
InChIInChI=1S/C25H20F4/c1-15-10-22(26)21(23(27)11-15)9-4-16-2-5-17(6-3-16)18-7-8-19-13-24(28)25(29)14-20(19)12-18/h7-8,10-14,16-17H,2-3,5-6H2,1H3
InChIKeyCPUZUPZVNPHZJM-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene
CID 139847060
2,3-difluoro-6-[4-[2-(4-heptylphenyl)ethynyl]cyclohexyl]naphthalene
CID 139847149
6-[4-[2-(4-butyl-2-fluorophenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene
CID 139846656
6-[2-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoronaphthalene
CID 139858828
6-[2-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-2,3-difluoronaphthalene
CID 139857546
2-cyclopropyl-7-methylnaphthalene
CID 176713070
6-[2-[2,6-difluoro-4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]-2,3-difluoronaphthalene
CID 139859151
2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846844
1-methoxy-4-[2-[4-(4-methylphenyl)cyclohexyl]ethynyl]benzene
CID 19984230
6-[2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]ethynyl]-2,3-difluoronaphthalene
CID 139858588
2-cyclopropylanthracene
CID 91468721
1,2,3-trifluoro-6-[4-(4-methylphenyl)cyclohexyl]naphthalene
CID 139846546

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene?
The IUPAC name of 6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene (CID 139846583) is 6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene.
What is the SMILES notation for 6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene?
The canonical SMILES for 6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene is Cc1cc(F)c(C#CC2CCC(c3ccc4cc(F)c(F)cc4c3)CC2)c(F)c1.
What is the InChIKey of 6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene?
The InChIKey is CPUZUPZVNPHZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4/c1-15-10-22(26)21(23(27)11-15)9-4-16-2-5-17(6-3-16)18-7-8-19-13-24(28)25(29)14-20(19)12-18/h7-8,10-14,16-17H,2-3,5-6H2,1H3.
What are the key properties of 6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene?
6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene has a molecular weight of 396.43 g/mol, XLogP of 7.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(2,6-difluoro-4-methylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene is sourced from PubChem (CID 139846583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).