1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene

C8H5ClF4 — CID 130776855

IUPAC1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene
SMILESCc1ccc(Cl)c(F)c1C(F)(F)F
InChIInChI=1S/C8H5ClF4/c1-4-2-3-5(9)7(10)6(4)8(11,12)13/h2-3H,1H3
InChIKeyWDQUFYLNAXBVIG-UHFFFAOYSA-N
MW212.57 g/mol
LogP3.81
Rot. Bonds

About 1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene

1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene (PubChem CID 130776855) has the molecular formula C8H5ClF4 and a molecular weight of 212.57 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene
PubChem CID130776855
Molecular FormulaC8H5ClF4
Molecular Weight212.57 g/mol
Exact Mass212.00
IUPAC Name1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene
SMILESCc1ccc(Cl)c(F)c1C(F)(F)F
InChIInChI=1S/C8H5ClF4/c1-4-2-3-5(9)7(10)6(4)8(11,12)13/h2-3H,1H3
InChIKeyWDQUFYLNAXBVIG-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3-chloro-2-fluoro-6-methylphenyl)-2-methylpropanenitrile
CID 84782005
1-chloro-2-(difluoromethoxy)-4-methyl-3-(trifluoromethyl)benzene
CID 171004207
4-chloro-3-fluoro-2-(trifluoromethyl)benzoic acid
CID 54115095
2-chloro-4-methyl-3-(trifluoromethyl)aniline
CID 119003965
ethyl 4-chloro-3-fluoro-2-(trifluoromethyl)benzoate
CID 171030025
1-chloro-3-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 146293234
1-chloro-3-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775479
1-chloro-2-fluoro-3-(fluoromethyl)-4-methylbenzene
CID 118811534
1-chloro-2-fluoro-4-(3-methylbutoxy)-3-(trifluoromethyl)benzene
CID 162590808
4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene
CID 170023870
1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride
CID 175251284
(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171249436

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene (CID 130776855) is 1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene is Cc1ccc(Cl)c(F)c1C(F)(F)F.
What is the InChIKey of 1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene?
The InChIKey is WDQUFYLNAXBVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4/c1-4-2-3-5(9)7(10)6(4)8(11,12)13/h2-3H,1H3.
What are the key properties of 1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene?
1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene has a molecular weight of 212.57 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 130776855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).