4-chloro-2-methyl-1-(trifluoromethyl)benzene

C8H6ClF3 — CID 12712338

IUPAC4-chloro-2-methyl-1-(trifluoromethyl)benzene
SMILESCc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C8H6ClF3/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4H,1H3
InChIKeyRWXLVNJPMZXECS-UHFFFAOYSA-N
MW194.58 g/mol
LogP3.67
Rot. Bonds

About 4-chloro-2-methyl-1-(trifluoromethyl)benzene

4-chloro-2-methyl-1-(trifluoromethyl)benzene (PubChem CID 12712338) has the molecular formula C8H6ClF3 and a molecular weight of 194.58 g/mol. Its IUPAC name is 4-chloro-2-methyl-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-chloro-2-methyl-1-(trifluoromethyl)benzene
PubChem CID12712338
Molecular FormulaC8H6ClF3
Molecular Weight194.58 g/mol
Exact Mass194.01
IUPAC Name4-chloro-2-methyl-1-(trifluoromethyl)benzene
SMILESCc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C8H6ClF3/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4H,1H3
InChIKeyRWXLVNJPMZXECS-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.58
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-chloro-2-methyl-1-(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

Related Compounds

2-(4-chloro-2-methylphenyl)propan-2-amine
CID 82280968
4-chloro-2-methyl-1-[2-(trifluoromethyl)phenyl]benzene
CID 118834049
[5-chloro-2-(trifluoromethyl)phenyl]boronic acid
CID 46736817
4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 134629680
1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 145326539
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene
CID 173483379
2-amino-2-(4-chloro-2-methylphenyl)propan-1-ol
CID 55270459
CID 69435849
CID 69435849
4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene
CID 118359594
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1-(trifluoromethyl)benzene?
The IUPAC name of 4-chloro-2-methyl-1-(trifluoromethyl)benzene (CID 12712338) is 4-chloro-2-methyl-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-chloro-2-methyl-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-chloro-2-methyl-1-(trifluoromethyl)benzene is Cc1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-methyl-1-(trifluoromethyl)benzene?
The InChIKey is RWXLVNJPMZXECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4H,1H3.
What are the key properties of 4-chloro-2-methyl-1-(trifluoromethyl)benzene?
4-chloro-2-methyl-1-(trifluoromethyl)benzene has a molecular weight of 194.58 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1-(trifluoromethyl)benzene is sourced from PubChem (CID 12712338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).