1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene

C16H12F6 — CID 145326539

IUPAC1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
SMILESCc1cc(-c2ccc(C)c(C(F)(F)F)c2)ccc1C(F)(F)F
InChIInChI=1S/C16H12F6/c1-9-3-4-12(8-14(9)16(20,21)22)11-5-6-13(10(2)7-11)15(17,18)19/h3-8H,1-2H3
InChIKeyADZWHRDNEVTWHE-UHFFFAOYSA-N
MW318.26 g/mol
LogP6.01
Rot. Bonds1

About 1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene

1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene (PubChem CID 145326539) has the molecular formula C16H12F6 and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
PubChem CID145326539
Molecular FormulaC16H12F6
Molecular Weight318.26 g/mol
Exact Mass318.08
IUPAC Name1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
SMILESCc1cc(-c2ccc(C)c(C(F)(F)F)c2)ccc1C(F)(F)F
InChIInChI=1S/C16H12F6/c1-9-3-4-12(8-14(9)16(20,21)22)11-5-6-13(10(2)7-11)15(17,18)19/h3-8H,1-2H3
InChIKeyADZWHRDNEVTWHE-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
1-[3-methyl-4-(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
CID 169072324
2,4-dimethyl-1-[3-methyl-4-(trifluoromethyl)phenyl]benzene
CID 155129747
9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene
CID 129213075
9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212253
1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene
CID 134628470
9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212252
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
2-[3-methyl-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 87928901
ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane)
CID 160858375
1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129213092
4-methyl-3-(trifluoromethyl)benzenethiol
CID 89041692

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene (CID 145326539) is 1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene is Cc1cc(-c2ccc(C)c(C(F)(F)F)c2)ccc1C(F)(F)F.
What is the InChIKey of 1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene?
The InChIKey is ADZWHRDNEVTWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6/c1-9-3-4-12(8-14(9)16(20,21)22)11-5-6-13(10(2)7-11)15(17,18)19/h3-8H,1-2H3.
What are the key properties of 1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene?
1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene has a molecular weight of 318.26 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 145326539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).