5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene

C29H27F5O — CID 158470893

IUPAC5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
SMILESFc1cc(-c2ccc(-c3ccc(C4CCC(C5CCC5)CC4)cc3)cc2)cc(F)c1OC(F)(F)F
InChIInChI=1S/C29H27F5O/c30-26-16-25(17-27(31)28(26)35-29(32,33)34)24-14-12-23(13-15-24)22-10-8-21(9-11-22)20-6-4-19(5-7-20)18-2-1-3-18/h8-20H,1-7H2
InChIKeyHGIIUYKLSLESOQ-UHFFFAOYSA-N
MW486.52 g/mol
LogP9.27
Rot. Bonds5

About 5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene

5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene (PubChem CID 158470893) has the molecular formula C29H27F5O and a molecular weight of 486.52 g/mol. Its IUPAC name is 5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
PubChem CID158470893
Molecular FormulaC29H27F5O
Molecular Weight486.52 g/mol
Exact Mass486.20
IUPAC Name5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
SMILESFc1cc(-c2ccc(-c3ccc(C4CCC(C5CCC5)CC4)cc3)cc2)cc(F)c1OC(F)(F)F
InChIInChI=1S/C29H27F5O/c30-26-16-25(17-27(31)28(26)35-29(32,33)34)24-14-12-23(13-15-24)22-10-8-21(9-11-22)20-6-4-19(5-7-20)18-2-1-3-18/h8-20H,1-7H2
InChIKeyHGIIUYKLSLESOQ-UHFFFAOYSA-N
XLogP9.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene 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

1,3-difluoro-5-[4-(4-pentylcyclohexyl)phenyl]-2-(trifluoromethoxy)benzene
CID 175686006
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene;ethane
CID 144714438
2-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383228
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 122472506
1,3-difluoro-5-[4-(4-fluorocyclohexyl)phenyl]-2-(1,1,2,2-tetrafluoroethoxy)benzene
CID 18344011
4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene
CID 134241732
2-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385097
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluorobenzene
CID 122469905
5-[4-(4-butylcyclohexyl)cyclohexyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
CID 122469922
4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-methylphenyl)benzene;1,3-difluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-(trifluoromethoxy)benzene;2-fluoro-1-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 163543023
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
2-[[4-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene
CID 59329068

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene (CID 158470893) is 5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene is Fc1cc(-c2ccc(-c3ccc(C4CCC(C5CCC5)CC4)cc3)cc2)cc(F)c1OC(F)(F)F.
What is the InChIKey of 5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene?
The InChIKey is HGIIUYKLSLESOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F5O/c30-26-16-25(17-27(31)28(26)35-29(32,33)34)24-14-12-23(13-15-24)22-10-8-21(9-11-22)20-6-4-19(5-7-20)18-2-1-3-18/h8-20H,1-7H2.
What are the key properties of 5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene?
5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene has a molecular weight of 486.52 g/mol, XLogP of 9.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-cyclobutylcyclohexyl)phenyl]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 158470893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).