1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene

C46H42F8 — CID 160749808

IUPAC1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
SMILESCc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(-c2ccc(C)cc2F)c(F)c1
InChIInChI=1S/C16H12F6.C16H18.C14H12F2/c1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16(20,21)22;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-9-3-5-11(13(15)7-9)12-6-4-10(2)8-14(12)16/h3-8H,1-2H3;5-10H,1-4H3;3-8H,1-2H3
InChIKeyRWQXYYYNRAGAPN-UHFFFAOYSA-N
MW746.83 g/mol
LogP14.84
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene

1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene (PubChem CID 160749808) has the molecular formula C46H42F8 and a molecular weight of 746.83 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
PubChem CID160749808
Molecular FormulaC46H42F8
Molecular Weight746.83 g/mol
Exact Mass746.32
IUPAC Name1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
SMILESCc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(-c2ccc(C)cc2F)c(F)c1
InChIInChI=1S/C16H12F6.C16H18.C14H12F2/c1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16(20,21)22;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-9-3-5-11(13(15)7-9)12-6-4-10(2)8-14(12)16/h3-8H,1-2H3;5-10H,1-4H3;3-8H,1-2H3
InChIKeyRWQXYYYNRAGAPN-UHFFFAOYSA-N
XLogP14.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.83
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene with MolForge

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Related Compounds

1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene
CID 20744040
2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene
CID 20697245
2-[4-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 59128028
1-(2,5-dimethylphenyl)-2-fluoro-4-methylbenzene
CID 138652236
2,4-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]benzene
CID 155129747
1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene
CID 159168162
7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 143567581
2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 169072337
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
1-[4-(2,4-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 81446952
2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene
CID 170835752
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene (CID 160749808) is 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene is Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(-c2ccc(C)cc2F)c(F)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene?
The InChIKey is RWQXYYYNRAGAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6.C16H18.C14H12F2/c1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16(20,21)22;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-9-3-5-11(13(15)7-9)12-6-4-10(2)8-14(12)16/h3-8H,1-2H3;5-10H,1-4H3;3-8H,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene?
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene has a molecular weight of 746.83 g/mol, XLogP of 14.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 160749808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).