1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene

C28H33F5O — CID 173305574

IUPAC1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene
SMILESCCCC1CCC(C2CCC(c3c(F)ccc(Oc4ccc(C(F)(F)F)cc4)c3F)CC2)CC1
InChIInChI=1S/C28H33F5O/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)26-24(29)16-17-25(27(26)30)34-23-14-12-22(13-15-23)28(31,32)33/h12-21H,2-11H2,1H3
InChIKeyRWKJFPQEYJEOTJ-UHFFFAOYSA-N
MW480.56 g/mol
LogP9.66
Rot. Bonds6

About 1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene

1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene (PubChem CID 173305574) has the molecular formula C28H33F5O and a molecular weight of 480.56 g/mol. Its IUPAC name is 1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene
PubChem CID173305574
Molecular FormulaC28H33F5O
Molecular Weight480.56 g/mol
Exact Mass480.25
IUPAC Name1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene
SMILESCCCC1CCC(C2CCC(c3c(F)ccc(Oc4ccc(C(F)(F)F)cc4)c3F)CC2)CC1
InChIInChI=1S/C28H33F5O/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)26-24(29)16-17-25(27(26)30)34-23-14-12-22(13-15-23)28(31,32)33/h12-21H,2-11H2,1H3
InChIKeyRWKJFPQEYJEOTJ-UHFFFAOYSA-N
XLogP9.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]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-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 173305630
2-[4-(4-butylcyclohexyl)cyclohexyl]-1,3-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenoxy]benzene
CID 173305794
2-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluoro-4-(3,4,5-trifluorophenoxy)benzene
CID 173305887
1,2-difluoro-4-methyl-5-[4-(4-propylcyclohexyl)phenyl]-3-[4-(trifluoromethyl)phenoxy]benzene
CID 22941351
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
2,3-difluoro-1-(1,1,2,2,2-pentadeuterioethoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 142671423
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
2-fluoro-1-[4-(4-nonylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 139779219
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene (CID 173305574) is 1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene is CCCC1CCC(C2CCC(c3c(F)ccc(Oc4ccc(C(F)(F)F)cc4)c3F)CC2)CC1.
What is the InChIKey of 1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene?
The InChIKey is RWKJFPQEYJEOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F5O/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)26-24(29)16-17-25(27(26)30)34-23-14-12-22(13-15-23)28(31,32)33/h12-21H,2-11H2,1H3.
What are the key properties of 1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene?
1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene has a molecular weight of 480.56 g/mol, XLogP of 9.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 173305574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).