1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride

C8H6Cl3F3O2S — CID 175251284

IUPAC1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride
SMILESCc1cccc(Cl)c1C(F)(F)F.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H6ClF3.Cl2O2S/c1-5-3-2-4-6(9)7(5)8(10,11)12;1-5(2,3)4/h2-4H,1H3;
InChIKeyATMKPJFGKCUCGK-UHFFFAOYSA-N
MW329.55 g/mol
LogP4.38
Rot. Bonds

About 1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride

1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride (PubChem CID 175251284) has the molecular formula C8H6Cl3F3O2S and a molecular weight of 329.55 g/mol. Its IUPAC name is 1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride.

Molecular Properties

Compound Name1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride
PubChem CID175251284
Molecular FormulaC8H6Cl3F3O2S
Molecular Weight329.55 g/mol
Exact Mass327.91
IUPAC Name1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride
SMILESCc1cccc(Cl)c1C(F)(F)F.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H6ClF3.Cl2O2S/c1-5-3-2-4-6(9)7(5)8(10,11)12;1-5(2,3)4/h2-4H,1H3;
InChIKeyATMKPJFGKCUCGK-UHFFFAOYSA-N
XLogP4.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.55
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride
CID 165461269
1-chloro-3-ethyl-2-(trifluoromethyl)benzene
CID 71072896
[3-chloro-2-(1,1-difluoroethyl)phenyl]methanesulfonyl chloride
CID 117466693
ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene
CID 143902908
ethane;3-methyl-2-(trifluoromethyl)phenol
CID 171645193
3-chloro-N,N-dimethyl-2-(trifluoromethyl)aniline
CID 67610403
bis[3-methyl-2-(trifluoromethyl)phenyl]methanone
CID 139698418
3-chloro-N-methyl-2-(trifluoromethyl)aniline
CID 67814646
N-cyano-3-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 142944554
2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87679057
1-chloro-2-fluoro-4-methyl-3-(trifluoromethyl)benzene
CID 130776855
ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane
CID 142595133

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride?
The IUPAC name of 1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride (CID 175251284) is 1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride.
What is the SMILES notation for 1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride?
The canonical SMILES for 1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride is Cc1cccc(Cl)c1C(F)(F)F.O=S(=O)(Cl)Cl.
What is the InChIKey of 1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride?
The InChIKey is ATMKPJFGKCUCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3.Cl2O2S/c1-5-3-2-4-6(9)7(5)8(10,11)12;1-5(2,3)4/h2-4H,1H3;.
What are the key properties of 1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride?
1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride has a molecular weight of 329.55 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride is sourced from PubChem (CID 175251284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).