1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene

C29H18F10O — CID 118603340

IUPAC1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(OC(F)(F)c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)cc2)c(F)c1F
InChIInChI=1S/C29H18F10O/c1-2-3-17-8-10-20(27(34)26(17)33)16-6-4-15(5-7-16)18-9-11-24(21(30)12-18)40-29(38,39)19-13-22(31)25(23(32)14-19)28(35,36)37/h4-14H,2-3H2,1H3
InChIKeyVBFUOVJDOLMWKG-UHFFFAOYSA-N
MW572.44 g/mol
LogP9.82
Rot. Bonds7

About 1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene

1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene (PubChem CID 118603340) has the molecular formula C29H18F10O and a molecular weight of 572.44 g/mol. Its IUPAC name is 1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene.

Molecular Properties

Compound Name1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene
PubChem CID118603340
Molecular FormulaC29H18F10O
Molecular Weight572.44 g/mol
Exact Mass572.12
IUPAC Name1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(OC(F)(F)c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)cc2)c(F)c1F
InChIInChI=1S/C29H18F10O/c1-2-3-17-8-10-20(27(34)26(17)33)16-6-4-15(5-7-16)18-9-11-24(21(30)12-18)40-29(38,39)19-13-22(31)25(23(32)14-19)28(35,36)37/h4-14H,2-3H2,1H3
InChIKeyVBFUOVJDOLMWKG-UHFFFAOYSA-N
XLogP9.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.44
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene 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-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118601253
2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 118858642
1-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]methoxy]-3,5-difluorophenyl]-2,3-difluoro-4-propylbenzene
CID 118603358
1-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118858470
2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 118858770
2,3-difluoro-1-[4-(3-fluoro-4-iodophenyl)phenyl]-4-propylbenzene
CID 10961394
1-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]phenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 135223713
2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
CID 118474676
1-[4-[2,2-difluoro-2-(3,4,5-trifluorophenoxy)ethoxy]phenyl]-2,3-difluoro-4-propylbenzene
CID 118858703
1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 118601461
3-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]-1,2,8-trifluoro-7-[4-(3,4,5-trifluorophenyl)phenyl]naphthalene
CID 118894722
3-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 118894647

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene?
The IUPAC name of 1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene (CID 118603340) is 1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene.
What is the SMILES notation for 1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene?
The canonical SMILES for 1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene is CCCc1ccc(-c2ccc(-c3ccc(OC(F)(F)c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)cc2)c(F)c1F.
What is the InChIKey of 1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene?
The InChIKey is VBFUOVJDOLMWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18F10O/c1-2-3-17-8-10-20(27(34)26(17)33)16-6-4-15(5-7-16)18-9-11-24(21(30)12-18)40-29(38,39)19-13-22(31)25(23(32)14-19)28(35,36)37/h4-14H,2-3H2,1H3.
What are the key properties of 1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene?
1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene has a molecular weight of 572.44 g/mol, XLogP of 9.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene is sourced from PubChem (CID 118603340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).