2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene

C26H14F8 — CID 145464175

IUPAC2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3cc(F)c(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C26H14F8/c1-13-2-4-14(5-3-13)15-6-7-18(19(27)8-15)16-9-20(28)24(21(29)10-16)17-11-22(30)25(23(31)12-17)26(32,33)34/h2-12H,1H3
InChIKeyUEOKABXSGBKYJW-UHFFFAOYSA-N
MW478.38 g/mol
LogP8.71
Rot. Bonds3

About 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene

2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene (PubChem CID 145464175) has the molecular formula C26H14F8 and a molecular weight of 478.38 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
PubChem CID145464175
Molecular FormulaC26H14F8
Molecular Weight478.38 g/mol
Exact Mass478.10
IUPAC Name2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3cc(F)c(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C26H14F8/c1-13-2-4-14(5-3-13)15-6-7-18(19(27)8-15)16-9-20(28)24(21(29)10-16)17-11-22(30)25(23(31)12-17)26(32,33)34/h2-12H,1H3
InChIKeyUEOKABXSGBKYJW-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.38
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene with MolForge

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Related Compounds

1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
CID 159994488
1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
CID 21026844
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine
CID 162556013
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 150640435
1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene
CID 137449218
[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol
CID 70852511
1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59557505
2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]phenyl]-1,3-dioxane-5-thiol
CID 134447882
1,3-difluoro-5-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 88999003

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene?
The IUPAC name of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene (CID 145464175) is 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene?
The canonical SMILES for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene is Cc1ccc(-c2ccc(-c3cc(F)c(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene?
The InChIKey is UEOKABXSGBKYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F8/c1-13-2-4-14(5-3-13)15-6-7-18(19(27)8-15)16-9-20(28)24(21(29)10-16)17-11-22(30)25(23(31)12-17)26(32,33)34/h2-12H,1H3.
What are the key properties of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene?
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene has a molecular weight of 478.38 g/mol, XLogP of 8.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 145464175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).