2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene

C26H18F4 — CID 58756075

IUPAC2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)c(F)c3)cc2F)cc1
InChIInChI=1S/C26H18F4/c1-15-3-6-17(7-4-15)20-11-8-18(13-23(20)27)19-9-12-21(24(28)14-19)22-10-5-16(2)25(29)26(22)30/h3-14H,1-2H3
InChIKeyBULVOPYFTSOMAB-UHFFFAOYSA-N
MW406.42 g/mol
LogP7.86
Rot. Bonds3

About 2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene

2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene (PubChem CID 58756075) has the molecular formula C26H18F4 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
PubChem CID58756075
Molecular FormulaC26H18F4
Molecular Weight406.42 g/mol
Exact Mass406.13
IUPAC Name2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)c(F)c3)cc2F)cc1
InChIInChI=1S/C26H18F4/c1-15-3-6-17(7-4-15)20-11-8-18(13-23(20)27)19-9-12-21(24(28)14-19)22-10-5-16(2)25(29)26(22)30/h3-14H,1-2H3
InChIKeyBULVOPYFTSOMAB-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
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-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-(4-methylphenyl)benzene;bis(2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylphenyl)phenyl]benzene);2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 158478579
2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane
CID 142330852
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
2,3-difluoro-1-(2-fluoro-4-phenylphenyl)-4-phenylbenzene
CID 130387899
1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene
CID 58140910
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene
CID 59547448

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene?
The IUPAC name of 2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene (CID 58756075) is 2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene.
What is the SMILES notation for 2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene?
The canonical SMILES for 2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene is Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)c(F)c3)cc2F)cc1.
What is the InChIKey of 2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene?
The InChIKey is BULVOPYFTSOMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4/c1-15-3-6-17(7-4-15)20-11-8-18(13-23(20)27)19-9-12-21(24(28)14-19)22-10-5-16(2)25(29)26(22)30/h3-14H,1-2H3.
What are the key properties of 2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene?
2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene has a molecular weight of 406.42 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene is sourced from PubChem (CID 58756075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).