1,2-dimethyl-4-(trifluoromethyl)benzene

C9H9F3 — CID 2737108

IUPAC1,2-dimethyl-4-(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C9H9F3/c1-6-3-4-8(5-7(6)2)9(10,11)12/h3-5H,1-2H3
InChIKeyXBHTYKIYEUHMIA-UHFFFAOYSA-N
MW174.16 g/mol
LogP3.32
Rot. Bonds

About 1,2-dimethyl-4-(trifluoromethyl)benzene

1,2-dimethyl-4-(trifluoromethyl)benzene (PubChem CID 2737108) has the molecular formula C9H9F3 and a molecular weight of 174.16 g/mol. Its IUPAC name is 1,2-dimethyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-(trifluoromethyl)benzene
PubChem CID2737108
Molecular FormulaC9H9F3
Molecular Weight174.16 g/mol
Exact Mass174.07
IUPAC Name1,2-dimethyl-4-(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C9H9F3/c1-6-3-4-8(5-7(6)2)9(10,11)12/h3-5H,1-2H3
InChIKeyXBHTYKIYEUHMIA-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-dimethyl-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1,2-dimethyl-4-(trifluoromethyl)benzene (CID 2737108) is 1,2-dimethyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2-dimethyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1,2-dimethyl-4-(trifluoromethyl)benzene is Cc1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 1,2-dimethyl-4-(trifluoromethyl)benzene?
The InChIKey is XBHTYKIYEUHMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3/c1-6-3-4-8(5-7(6)2)9(10,11)12/h3-5H,1-2H3.
What are the key properties of 1,2-dimethyl-4-(trifluoromethyl)benzene?
1,2-dimethyl-4-(trifluoromethyl)benzene has a molecular weight of 174.16 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 2737108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).