1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene

C15H13F3 — CID 91161720

IUPAC1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
SMILESCc1cccc(-c2cc(C(F)(F)F)ccc2C)c1
InChIInChI=1S/C15H13F3/c1-10-4-3-5-12(8-10)14-9-13(15(16,17)18)7-6-11(14)2/h3-9H,1-2H3
InChIKeySWSYALVFPJLYHS-UHFFFAOYSA-N
MW250.26 g/mol
LogP4.99
Rot. Bonds1

About 1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene

1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene (PubChem CID 91161720) has the molecular formula C15H13F3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
PubChem CID91161720
Molecular FormulaC15H13F3
Molecular Weight250.26 g/mol
Exact Mass250.10
IUPAC Name1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
SMILESCc1cccc(-c2cc(C(F)(F)F)ccc2C)c1
InChIInChI=1S/C15H13F3/c1-10-4-3-5-12(8-10)14-9-13(15(16,17)18)7-6-11(14)2/h3-9H,1-2H3
InChIKeySWSYALVFPJLYHS-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 170835758
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649099
4-ethyl-1-methyl-2-(3-methylphenyl)benzene
CID 91311090
1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene
CID 139967906
methyl 4-methyl-3-[3-(trifluoromethyl)phenyl]benzoate
CID 67169724
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 105408643
2-methyl-7-(trifluoromethyl)tetraphenylene
CID 162399376
2,5-dimethyl-4-(3-methylphenyl)phenol
CID 101298799
3-[2-(3-methylphenyl)-5-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 122379882
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride
CID 168665304

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene (CID 91161720) is 1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene is Cc1cccc(-c2cc(C(F)(F)F)ccc2C)c1.
What is the InChIKey of 1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene?
The InChIKey is SWSYALVFPJLYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3/c1-10-4-3-5-12(8-10)14-9-13(15(16,17)18)7-6-11(14)2/h3-9H,1-2H3.
What are the key properties of 1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene?
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene has a molecular weight of 250.26 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 91161720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).