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

C16H15F3 — CID 20697245

IUPAC2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H15F3/c1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19/h4-9H,1-3H3
InChIKeyCPFAHOQKQXUICI-UHFFFAOYSA-N
MW264.29 g/mol
LogP5.30
Rot. Bonds1

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

2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene (PubChem CID 20697245) has the molecular formula C16H15F3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene
PubChem CID20697245
Molecular FormulaC16H15F3
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H15F3/c1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19/h4-9H,1-3H3
InChIKeyCPFAHOQKQXUICI-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.29
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene (CID 20697245) is 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene is Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene?
The InChIKey is CPFAHOQKQXUICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3/c1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19/h4-9H,1-3H3.
What are the key properties of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene?
2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene has a molecular weight of 264.29 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 20697245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).