2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride

C2HCl4F3O2S — CID 19786045

IUPAC2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride
SMILESFC(F)(F)C(Cl)Cl.O=S(=O)(Cl)Cl
InChIInChI=1S/C2HCl2F3.Cl2O2S/c3-1(4)2(5,6)7;1-5(2,3)4/h1H;
InChIKeyHVXMMXHLJARZIJ-UHFFFAOYSA-N
MW287.90 g/mol
LogP3.06
Rot. Bonds

About 2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride

2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride (PubChem CID 19786045) has the molecular formula C2HCl4F3O2S and a molecular weight of 287.90 g/mol. Its IUPAC name is 2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride.

Molecular Properties

Compound Name2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride
PubChem CID19786045
Molecular FormulaC2HCl4F3O2S
Molecular Weight287.90 g/mol
Exact Mass285.84
IUPAC Name2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride
SMILESFC(F)(F)C(Cl)Cl.O=S(=O)(Cl)Cl
InChIInChI=1S/C2HCl2F3.Cl2O2S/c3-1(4)2(5,6)7;1-5(2,3)4/h1H;
InChIKeyHVXMMXHLJARZIJ-UHFFFAOYSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.90
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
CID 103311335
azane;trifluoromethanesulfonyl chloride
CID 87630754
3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride
CID 105484134
1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride
CID 10926127
chlorosulfonylsulfonyl(trifluoro)methane
CID 134337537
2-chloro-1,1,2-trifluoroethanesulfonic acid
CID 18504267
1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride
CID 114827468
(2R)-3-chlorosulfonyloxy-1,1,1-trifluoro-2-iodopropane
CID 98115622
1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride
CID 13311584
4,4-dichloro-1,1,1,2,3,3-hexafluorobutane
CID 12829383
methanesulfonyl chloride;trifluoromethanesulfonic acid
CID 174263970
1,1,1,3,3,3-hexafluoropropan-2-ol;sulfuric acid
CID 146471813

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride?
The IUPAC name of 2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride (CID 19786045) is 2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride.
What is the SMILES notation for 2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride?
The canonical SMILES for 2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride is FC(F)(F)C(Cl)Cl.O=S(=O)(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride?
The InChIKey is HVXMMXHLJARZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl2F3.Cl2O2S/c3-1(4)2(5,6)7;1-5(2,3)4/h1H;.
What are the key properties of 2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride?
2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride has a molecular weight of 287.90 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride is sourced from PubChem (CID 19786045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).