5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene

C25H18F8O2 — CID 118283158

IUPAC5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
SMILESFc1cc(OC(F)(F)c2c(F)cc(-c3ccc(C4CCCC4)cc3)cc2F)ccc1OC(F)(F)F
InChIInChI=1S/C25H18F8O2/c26-19-13-18(9-10-22(19)35-25(31,32)33)34-24(29,30)23-20(27)11-17(12-21(23)28)16-7-5-15(6-8-16)14-3-1-2-4-14/h5-14H,1-4H2
InChIKeyNUGSMBGBORKVQB-UHFFFAOYSA-N
MW502.40 g/mol
LogP8.46
Rot. Bonds6

About 5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene

5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene (PubChem CID 118283158) has the molecular formula C25H18F8O2 and a molecular weight of 502.40 g/mol. Its IUPAC name is 5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
PubChem CID118283158
Molecular FormulaC25H18F8O2
Molecular Weight502.40 g/mol
Exact Mass502.12
IUPAC Name5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
SMILESFc1cc(OC(F)(F)c2c(F)cc(-c3ccc(C4CCCC4)cc3)cc2F)ccc1OC(F)(F)F
InChIInChI=1S/C25H18F8O2/c26-19-13-18(9-10-22(19)35-25(31,32)33)34-24(29,30)23-20(27)11-17(12-21(23)28)16-7-5-15(6-8-16)14-3-1-2-4-14/h5-14H,1-4H2
InChIKeyNUGSMBGBORKVQB-UHFFFAOYSA-N
XLogP8.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.40
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene 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

2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]benzene
CID 59329402
4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene
CID 143982596
2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene
CID 58738425
5-[4-[4-(4-butylcyclohexyl)-2-fluorophenyl]-2-fluorophenyl]-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 59330126
2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene
CID 59328560
4-cyclobutyl-2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 162562342
1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-4-propylcycloheptane
CID 118360369
2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene
CID 89145241
[3-fluoro-4-(trifluoromethoxy)phenyl] 4-cyclohexylbenzoate
CID 126565049
5-(4-cyclopentyl-2-fluorophenyl)-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 118283137
2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene
CID 58544290
5-(4-butoxyphenyl)-2-[difluoro-[3-fluoro-4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-1,3-difluorobenzene
CID 59328856

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene?
The IUPAC name of 5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene (CID 118283158) is 5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene.
What is the SMILES notation for 5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene?
The canonical SMILES for 5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene is Fc1cc(OC(F)(F)c2c(F)cc(-c3ccc(C4CCCC4)cc3)cc2F)ccc1OC(F)(F)F.
What is the InChIKey of 5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene?
The InChIKey is NUGSMBGBORKVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F8O2/c26-19-13-18(9-10-22(19)35-25(31,32)33)34-24(29,30)23-20(27)11-17(12-21(23)28)16-7-5-15(6-8-16)14-3-1-2-4-14/h5-14H,1-4H2.
What are the key properties of 5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene?
5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene has a molecular weight of 502.40 g/mol, XLogP of 8.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopentylphenyl)-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene is sourced from PubChem (CID 118283158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).