1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride

C8H7Cl2F3O3S — CID 161048134

IUPAC1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride
SMILESCc1cccc(OC(F)(F)F)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H7F3O.Cl2O2S/c1-6-3-2-4-7(5-6)12-8(9,10)11;1-5(2,3)4/h2-5H,1H3;
InChIKeyUBTSHZUJTARCIG-UHFFFAOYSA-N
MW311.11 g/mol
LogP3.60
Rot. Bonds1

About 1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride

1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride (PubChem CID 161048134) has the molecular formula C8H7Cl2F3O3S and a molecular weight of 311.11 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride
PubChem CID161048134
Molecular FormulaC8H7Cl2F3O3S
Molecular Weight311.11 g/mol
Exact Mass309.94
IUPAC Name1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride
SMILESCc1cccc(OC(F)(F)F)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H7F3O.Cl2O2S/c1-6-3-2-4-7(5-6)12-8(9,10)11;1-5(2,3)4/h2-5H,1H3;
InChIKeyUBTSHZUJTARCIG-UHFFFAOYSA-N
XLogP3.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
hexane;1-methyl-3-(trifluoromethoxy)benzene
CID 143689144
1-(1,1-difluoropropoxy)-3-methylbenzene
CID 67588241
[3-(trifluoromethoxy)phenyl] methanesulfonate
CID 18424473
1-methyl-3-(trichloromethoxy)benzene
CID 21412926
propan-2-yl 3-(trifluoromethoxy)benzoate;sulfuryl dichloride
CID 174349656
(3-methylphenyl)-phenyl-[3-(trifluoromethoxy)phenyl]sulfanium
CID 165011553
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
1-(1,1,2,3,3,3-hexafluoropropoxy)-3-methylbenzene
CID 152766839
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride?
The IUPAC name of 1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride (CID 161048134) is 1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride.
What is the SMILES notation for 1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride?
The canonical SMILES for 1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride is Cc1cccc(OC(F)(F)F)c1.O=S(=O)(Cl)Cl.
What is the InChIKey of 1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride?
The InChIKey is UBTSHZUJTARCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.Cl2O2S/c1-6-3-2-4-7(5-6)12-8(9,10)11;1-5(2,3)4/h2-5H,1H3;.
What are the key properties of 1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride?
1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride has a molecular weight of 311.11 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride is sourced from PubChem (CID 161048134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).