1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride

C2Cl3F3O2S — CID 13311584

IUPAC1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C2Cl3F3O2S/c3-1(4,2(6,7)8)11(5,9)10
InChIKeyNLYFGKQJZPUNAW-UHFFFAOYSA-N
MW251.44 g/mol
LogP2.25
Rot. Bonds1

About 1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride

1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride (PubChem CID 13311584) has the molecular formula C2Cl3F3O2S and a molecular weight of 251.44 g/mol. Its IUPAC name is 1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride.

Molecular Properties

Compound Name1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride
PubChem CID13311584
Molecular FormulaC2Cl3F3O2S
Molecular Weight251.44 g/mol
Exact Mass249.86
IUPAC Name1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C2Cl3F3O2S/c3-1(4,2(6,7)8)11(5,9)10
InChIKeyNLYFGKQJZPUNAW-UHFFFAOYSA-N
XLogP2.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 52.25
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

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1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride
CID 86072668
chloro(trifluoro)methane;hydrofluoride
CID 158114823
1,1-difluoro-2-hydroxyethanesulfonyl chloride
CID 58288757
1,1-dichloro-2,2-difluoro-2-hydroxyethanesulfonic acid
CID 162539021
2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride
CID 19786045
chlorosulfonylsulfonyl(trifluoro)methane
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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride?
The IUPAC name of 1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride (CID 13311584) is 1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride.
What is the SMILES notation for 1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride?
The canonical SMILES for 1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride is O=S(=O)(Cl)C(Cl)(Cl)C(F)(F)F.
What is the InChIKey of 1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride?
The InChIKey is NLYFGKQJZPUNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl3F3O2S/c3-1(4,2(6,7)8)11(5,9)10.
What are the key properties of 1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride?
1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride has a molecular weight of 251.44 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride is sourced from PubChem (CID 13311584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).