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

C20H14F4 — CID 137449218

IUPAC1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene
SMILESCc1ccc(-c2ccc(-c3c(F)cc(C)cc3F)cc2F)c(F)c1
InChIInChI=1S/C20H14F4/c1-11-3-5-14(16(21)7-11)15-6-4-13(10-17(15)22)20-18(23)8-12(2)9-19(20)24/h3-10H,1-2H3
InChIKeyORRKSWVVVPQOSH-UHFFFAOYSA-N
MW330.32 g/mol
LogP6.19
Rot. Bonds2

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

1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene (PubChem CID 137449218) has the molecular formula C20H14F4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene.

Molecular Properties

Compound Name1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene
PubChem CID137449218
Molecular FormulaC20H14F4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene
SMILESCc1ccc(-c2ccc(-c3c(F)cc(C)cc3F)cc2F)c(F)c1
InChIInChI=1S/C20H14F4/c1-11-3-5-14(16(21)7-11)15-6-4-13(10-17(15)22)20-18(23)8-12(2)9-19(20)24/h3-10H,1-2H3
InChIKeyORRKSWVVVPQOSH-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.32
LogP ≤ 56.19
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-4-(2-fluoro-4-methylphenyl)phenol
CID 53219309
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
1-(2,5-dimethylphenyl)-2-fluoro-4-methylbenzene
CID 138652236
1,3-difluoro-5-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 88999003
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 145464175
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-6-methylphenyl]ethynyl]benzene
CID 134375965
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
2-fluoro-4-methyl-1-(3-methylphenyl)benzene
CID 142157742

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene?
The IUPAC name of 1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene (CID 137449218) is 1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene.
What is the SMILES notation for 1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene?
The canonical SMILES for 1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene is Cc1ccc(-c2ccc(-c3c(F)cc(C)cc3F)cc2F)c(F)c1.
What is the InChIKey of 1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene?
The InChIKey is ORRKSWVVVPQOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4/c1-11-3-5-14(16(21)7-11)15-6-4-13(10-17(15)22)20-18(23)8-12(2)9-19(20)24/h3-10H,1-2H3.
What are the key properties of 1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene?
1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene has a molecular weight of 330.32 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene is sourced from PubChem (CID 137449218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).