5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene

C34H18F10O — CID 123815222

IUPAC5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
SMILESCC(F)=C(F)c1ccc(-c2ccc(-c3ccc(-c4cc(F)c(-c5cc(F)c(OC(F)(F)F)c(F)c5)c(F)c4)c(F)c3)cc2)cc1
InChIInChI=1S/C34H18F10O/c1-17(35)32(41)21-8-6-19(7-9-21)18-2-4-20(5-3-18)22-10-11-25(26(36)12-22)23-13-27(37)31(28(38)14-23)24-15-29(39)33(30(40)16-24)45-34(42,43)44/h2-16H,1H3
InChIKeySCAISRMRXCHUIK-UHFFFAOYSA-N
MW632.50 g/mol
LogP11.58
Rot. Bonds6

About 5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene

5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene (PubChem CID 123815222) has the molecular formula C34H18F10O and a molecular weight of 632.50 g/mol. Its IUPAC name is 5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
PubChem CID123815222
Molecular FormulaC34H18F10O
Molecular Weight632.50 g/mol
Exact Mass632.12
IUPAC Name5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
SMILESCC(F)=C(F)c1ccc(-c2ccc(-c3ccc(-c4cc(F)c(-c5cc(F)c(OC(F)(F)F)c(F)c5)c(F)c4)c(F)c3)cc2)cc1
InChIInChI=1S/C34H18F10O/c1-17(35)32(41)21-8-6-19(7-9-21)18-2-4-20(5-3-18)22-10-11-25(26(36)12-22)23-13-27(37)31(28(38)14-23)24-15-29(39)33(30(40)16-24)45-34(42,43)44/h2-16H,1H3
InChIKeySCAISRMRXCHUIK-UHFFFAOYSA-N
XLogP11.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.50
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-[[4-[4-(1,2-difluorobuta-1,3-dienyl)phenyl]phenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 123383126
5-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-1,2,3-trifluorobenzene
CID 123905561
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 145464175
2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-pentylphenyl)benzene
CID 59329628
5-[4-(1,2-difluoro-2-prop-2-enoxyethenyl)-2-fluorophenyl]-2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-1,3-difluorobenzene
CID 123586318
2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene
CID 58738459
5-[4-[[4-(1,2-difluoropent-1-enyl)phenyl]-difluoromethoxy]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 123528854
1-chloro-5-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-3-fluorobenzene
CID 87528002
5-[4-[4-[2-[4-(1,2-difluoroprop-1-enyl)phenyl]ethyl]phenyl]-2-fluorophenyl]-1,3-difluoro-2-oct-7-enylbenzene
CID 123698965
5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 123558810
5-but-3-enyl-2-[4-[[3-chloro-4-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenyl]-5-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 87527992
2-[4-[[4-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyrimidine
CID 58383412

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene?
The IUPAC name of 5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene (CID 123815222) is 5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene.
What is the SMILES notation for 5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene?
The canonical SMILES for 5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene is CC(F)=C(F)c1ccc(-c2ccc(-c3ccc(-c4cc(F)c(-c5cc(F)c(OC(F)(F)F)c(F)c5)c(F)c4)c(F)c3)cc2)cc1.
What is the InChIKey of 5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene?
The InChIKey is SCAISRMRXCHUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18F10O/c1-17(35)32(41)21-8-6-19(7-9-21)18-2-4-20(5-3-18)22-10-11-25(26(36)12-22)23-13-27(37)31(28(38)14-23)24-15-29(39)33(30(40)16-24)45-34(42,43)44/h2-16H,1H3.
What are the key properties of 5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene?
5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene has a molecular weight of 632.50 g/mol, XLogP of 11.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene is sourced from PubChem (CID 123815222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).