5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene

C36H23ClF10O — CID 89475889

IUPAC5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene
SMILESCCCCc1ccc(-c2cc(F)c(OC(F)(F)c3ccc(-c4cc(F)c(-c5ccc(C(F)(F)F)c(F)c5)c(F)c4)c(F)c3)c(Cl)c2)cc1
InChIInChI=1S/C36H23ClF10O/c1-2-3-4-19-5-7-20(8-6-19)22-13-27(37)34(32(42)15-22)48-36(46,47)24-10-11-25(28(38)18-24)23-16-30(40)33(31(41)17-23)21-9-12-26(29(39)14-21)35(43,44)45/h5-18H,2-4H2,1H3
InChIKeyUXNLAMDURFFMTI-UHFFFAOYSA-N
MW697.01 g/mol
LogP12.53
Rot. Bonds9

About 5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene

5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene (PubChem CID 89475889) has the molecular formula C36H23ClF10O and a molecular weight of 697.01 g/mol. Its IUPAC name is 5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene.

Molecular Properties

Compound Name5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene
PubChem CID89475889
Molecular FormulaC36H23ClF10O
Molecular Weight697.01 g/mol
Exact Mass696.13
IUPAC Name5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene
SMILESCCCCc1ccc(-c2cc(F)c(OC(F)(F)c3ccc(-c4cc(F)c(-c5ccc(C(F)(F)F)c(F)c5)c(F)c4)c(F)c3)c(Cl)c2)cc1
InChIInChI=1S/C36H23ClF10O/c1-2-3-4-19-5-7-20(8-6-19)22-13-27(37)34(32(42)15-22)48-36(46,47)24-10-11-25(28(38)18-24)23-16-30(40)33(31(41)17-23)21-9-12-26(29(39)14-21)35(43,44)45/h5-18H,2-4H2,1H3
InChIKeyUXNLAMDURFFMTI-UHFFFAOYSA-N
XLogP12.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.01
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene 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

Benzene, 4-((2-(3-chloro-4-ethoxyphenyl)-2-methylpropoxy)methyl)-1-fluoro-2-phenoxy-
CID 3068497
2-Chloro-1-methoxy-4-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]benzene
CID 177851845
[2-[6-Bis(4-fluorophenyl)phosphanyl-3-chloro-2-methoxyphenyl]-4-chloro-3-methoxyphenyl]-bis(4-fluorophenyl)phosphane
CID 12010703
2-Chloro-4-[2-(3-chloro-4-phenylmethoxyphenyl)-1,1,2,2-tetrafluoroethyl]-1-phenylmethoxybenzene
CID 12084322
2-Chloro-1-ethoxy-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
CID 13475424
2-Chloro-1-ethoxy-4-[5-[4-fluoro-3-(4-fluorophenoxy)phenyl]-2-methylpentan-2-yl]benzene
CID 13475434
2-Chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 14580800
2-Chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 14580805
2-(3-Chloro-4-ethoxyphenyl)-3,3,3-trifluoropropyl 3-(4-fluorophenoxy)benzyl ether
CID 14580815
2-Chloro-1-ethoxy-4-[1-[(2-fluoro-5-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]benzene
CID 15590574
2'-Chloro-2,3,3'-trifluoro-4'-methyl-4-((trans-4-(trans-4-butylcyclohexyl)cyclohexyl)methoxy)biphenyl
CID 18332053
2-(4-Chloro-3-fluorophenyl)-5-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-1,3-difluorobenzene
CID 20653857

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene?
The IUPAC name of 5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene (CID 89475889) is 5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene.
What is the SMILES notation for 5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene?
The canonical SMILES for 5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene is CCCCc1ccc(-c2cc(F)c(OC(F)(F)c3ccc(-c4cc(F)c(-c5ccc(C(F)(F)F)c(F)c5)c(F)c4)c(F)c3)c(Cl)c2)cc1.
What is the InChIKey of 5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene?
The InChIKey is UXNLAMDURFFMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23ClF10O/c1-2-3-4-19-5-7-20(8-6-19)22-13-27(37)34(32(42)15-22)48-36(46,47)24-10-11-25(28(38)18-24)23-16-30(40)33(31(41)17-23)21-9-12-26(29(39)14-21)35(43,44)45/h5-18H,2-4H2,1H3.
What are the key properties of 5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene?
5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene has a molecular weight of 697.01 g/mol, XLogP of 12.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene is sourced from PubChem (CID 89475889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).