5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene

C30H24F6O — CID 59049000

IUPAC5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene
SMILESCCCc1ccc(CCC(F)(F)Oc2ccc(-c3cc(F)c(-c4ccc(F)cc4)c(F)c3)cc2)c(F)c1
InChIInChI=1S/C30H24F6O/c1-2-3-19-4-5-21(26(32)16-19)14-15-30(35,36)37-25-12-8-20(9-13-25)23-17-27(33)29(28(34)18-23)22-6-10-24(31)11-7-22/h4-13,16-18H,2-3,14-15H2,1H3
InChIKeyGOSJOVGPKMXWCP-UHFFFAOYSA-N
MW514.51 g/mol
LogP9.13
Rot. Bonds9

About 5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene

5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene (PubChem CID 59049000) has the molecular formula C30H24F6O and a molecular weight of 514.51 g/mol. Its IUPAC name is 5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene
PubChem CID59049000
Molecular FormulaC30H24F6O
Molecular Weight514.51 g/mol
Exact Mass514.17
IUPAC Name5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene
SMILESCCCc1ccc(CCC(F)(F)Oc2ccc(-c3cc(F)c(-c4ccc(F)cc4)c(F)c3)cc2)c(F)c1
InChIInChI=1S/C30H24F6O/c1-2-3-19-4-5-21(26(32)16-19)14-15-30(35,36)37-25-12-8-20(9-13-25)23-17-27(33)29(28(34)18-23)22-6-10-24(31)11-7-22/h4-13,16-18H,2-3,14-15H2,1H3
InChIKeyGOSJOVGPKMXWCP-UHFFFAOYSA-N
XLogP9.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.51
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-[1,1-difluoro-3-(4-propylcyclohexyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene
CID 21353283
1-butoxy-4-[3,3-difluoro-3-[4-(4-propylphenyl)phenoxy]propyl]-2,3-difluorobenzene
CID 58995783
1-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118858470
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene
CID 90179489
4-[8-[4-(4-butylphenyl)phenoxy]-8,8-difluorooctyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 134602727
3-(difluoromethyl)-1-[3,3-difluoro-3-(4-propylphenoxy)propyl]-2-fluoro-4-methylbenzene
CID 58953424
1-[4-[[4-[3-(3,4-difluorophenoxy)-3,3-difluoropropyl]-3-fluorophenoxy]-difluoromethyl]phenyl]-2-fluoro-4-(4-pentylphenyl)benzene
CID 59328591
1-[3,3-difluoro-3-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenoxy]propyl]-2,3-difluoro-4-propylbenzene
CID 118858718
2-[4-[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-6-propylnaphthalene
CID 90179625
2-[[4-(3,4-difluorophenyl)-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 153438755
2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene?
The IUPAC name of 5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene (CID 59049000) is 5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene.
What is the SMILES notation for 5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene?
The canonical SMILES for 5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene is CCCc1ccc(CCC(F)(F)Oc2ccc(-c3cc(F)c(-c4ccc(F)cc4)c(F)c3)cc2)c(F)c1.
What is the InChIKey of 5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene?
The InChIKey is GOSJOVGPKMXWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F6O/c1-2-3-19-4-5-21(26(32)16-19)14-15-30(35,36)37-25-12-8-20(9-13-25)23-17-27(33)29(28(34)18-23)22-6-10-24(31)11-7-22/h4-13,16-18H,2-3,14-15H2,1H3.
What are the key properties of 5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene?
5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene has a molecular weight of 514.51 g/mol, XLogP of 9.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1,1-difluoro-3-(2-fluoro-4-propylphenyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene is sourced from PubChem (CID 59049000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).