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

C42H38F4 — CID 144612336

IUPAC2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(C)c(F)c2)cc1.Cc1ccc(-c2ccc(C)cc2F)c(F)c1.Cc1ccc(-c2ccc(C)cc2F)cc1
InChIInChI=1S/C14H12F2.2C14H13F/c1-9-3-5-11(13(15)7-9)12-6-4-10(2)8-14(12)16;1-10-3-6-12(7-4-10)13-8-5-11(2)14(15)9-13;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14(13)15/h3-8H,1-2H3;2*3-9H,1-2H3
InChIKeyAWEHUHWGFYKVEW-UHFFFAOYSA-N
MW618.76 g/mol
LogP12.47
Rot. Bonds3

About 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

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 (PubChem CID 144612336) has the molecular formula C42H38F4 and a molecular weight of 618.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
PubChem CID144612336
Molecular FormulaC42H38F4
Molecular Weight618.76 g/mol
Exact Mass618.29
IUPAC Name2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(C)c(F)c2)cc1.Cc1ccc(-c2ccc(C)cc2F)c(F)c1.Cc1ccc(-c2ccc(C)cc2F)cc1
InChIInChI=1S/C14H12F2.2C14H13F/c1-9-3-5-11(13(15)7-9)12-6-4-10(2)8-14(12)16;1-10-3-6-12(7-4-10)13-8-5-11(2)14(15)9-13;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14(13)15/h3-8H,1-2H3;2*3-9H,1-2H3
InChIKeyAWEHUHWGFYKVEW-UHFFFAOYSA-N
XLogP12.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.76
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
CID 58756075
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
2-fluoro-1-[4-[2-(3-fluoro-4-methylphenyl)ethynyl]phenyl]-4-methylbenzene
CID 20683303
2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
CID 130468833
5-(2-fluoro-4-methylphenyl)-2-(3-fluoro-4-methylphenyl)pyridine
CID 54326590
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
1-(2,5-dimethylphenyl)-2-fluoro-4-methylbenzene
CID 138652236
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 157199372
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc(C)c(F)c2)cc1.Cc1ccc(-c2ccc(C)cc2F)c(F)c1.Cc1ccc(-c2ccc(C)cc2F)cc1.
What is the InChIKey of 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?
The InChIKey is AWEHUHWGFYKVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2.2C14H13F/c1-9-3-5-11(13(15)7-9)12-6-4-10(2)8-14(12)16;1-10-3-6-12(7-4-10)13-8-5-11(2)14(15)9-13;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14(13)15/h3-8H,1-2H3;2*3-9H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 618.76 g/mol, XLogP of 12.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144612336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).