2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene

C26H18F4 — CID 59499857

IUPAC2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(CF)c(F)c4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C26H18F4/c1-16-2-4-17(5-3-16)18-8-10-22(25(29)12-18)20-9-11-23(26(30)14-20)19-6-7-21(15-27)24(28)13-19/h2-14H,15H2,1H3
InChIKeyASFNZPSFPVIMOA-UHFFFAOYSA-N
MW406.42 g/mol
LogP7.88
Rot. Bonds4

About 2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene

2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene (PubChem CID 59499857) has the molecular formula C26H18F4 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
PubChem CID59499857
Molecular FormulaC26H18F4
Molecular Weight406.42 g/mol
Exact Mass406.13
IUPAC Name2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(CF)c(F)c4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C26H18F4/c1-16-2-4-17(5-3-16)18-8-10-22(25(29)12-18)20-9-11-23(26(30)14-20)19-6-7-21(15-27)24(28)13-19/h2-14H,15H2,1H3
InChIKeyASFNZPSFPVIMOA-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59557505
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
CID 130468833
2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine
CID 59330244
2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene
CID 59215467
2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
CID 144612336
2-[[3,4-difluoro-5-(fluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 134479170
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
1-butoxy-2-fluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 23391139
1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
CID 159994488

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene (CID 59499857) is 2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene is Cc1ccc(-c2ccc(-c3ccc(-c4ccc(CF)c(F)c4)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene?
The InChIKey is ASFNZPSFPVIMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4/c1-16-2-4-17(5-3-16)18-8-10-22(25(29)12-18)20-9-11-23(26(30)14-20)19-6-7-21(15-27)24(28)13-19/h2-14H,15H2,1H3.
What are the key properties of 2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene?
2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene has a molecular weight of 406.42 g/mol, XLogP of 7.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 59499857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).