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

C15H10F6 — CID 134627753

IUPAC2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
SMILESCc1cc(C(F)(F)F)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6/c1-9-7-12(15(19,20)21)5-6-13(9)10-3-2-4-11(8-10)14(16,17)18/h2-8H,1H3
InChIKeyJBLSNWCMOMKMMF-UHFFFAOYSA-N
MW304.23 g/mol
LogP5.70
Rot. Bonds1

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

2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 134627753) has the molecular formula C15H10F6 and a molecular weight of 304.23 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
PubChem CID134627753
Molecular FormulaC15H10F6
Molecular Weight304.23 g/mol
Exact Mass304.07
IUPAC Name2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
SMILESCc1cc(C(F)(F)F)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6/c1-9-7-12(15(19,20)21)5-6-13(9)10-3-2-4-11(8-10)14(16,17)18/h2-8H,1H3
InChIKeyJBLSNWCMOMKMMF-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.23
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 68949773
2-methyl-1-phenyl-4-(trifluoromethyl)benzene;sulfanol
CID 174961722
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
3-(2,4-dimethylphenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879381
[2-methoxy-5-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]boronic acid
CID 123757639
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 170835758
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 118851557
[2-[3-(trifluoromethyl)phenyl]phenyl]phosphane
CID 175247620
2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene (CID 134627753) is 2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene is Cc1cc(C(F)(F)F)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is JBLSNWCMOMKMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6/c1-9-7-12(15(19,20)21)5-6-13(9)10-3-2-4-11(8-10)14(16,17)18/h2-8H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene?
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene has a molecular weight of 304.23 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134627753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).