1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene

C15H12F4 — CID 20744040

IUPAC1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(-c2ccc(C)cc2C(F)(F)F)c(F)c1
InChIInChI=1S/C15H12F4/c1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16/h3-8H,1-2H3
InChIKeyBVXXJBBUIJXRMO-UHFFFAOYSA-N
MW268.25 g/mol
LogP5.13
Rot. Bonds1

About 1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene

1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene (PubChem CID 20744040) has the molecular formula C15H12F4 and a molecular weight of 268.25 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene
PubChem CID20744040
Molecular FormulaC15H12F4
Molecular Weight268.25 g/mol
Exact Mass268.09
IUPAC Name1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(-c2ccc(C)cc2C(F)(F)F)c(F)c1
InChIInChI=1S/C15H12F4/c1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16/h3-8H,1-2H3
InChIKeyBVXXJBBUIJXRMO-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.25
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene (CID 20744040) is 1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene is Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene?
The InChIKey is BVXXJBBUIJXRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4/c1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16/h3-8H,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene?
1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene has a molecular weight of 268.25 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 20744040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).