2,2-dichloro-1,1-difluoroethanesulfinic acid

C2H2Cl2F2O2S — CID 19782021

IUPAC2,2-dichloro-1,1-difluoroethanesulfinic acid
SMILESO=S(O)C(F)(F)C(Cl)Cl
InChIInChI=1S/C2H2Cl2F2O2S/c3-1(4)2(5,6)9(7)8/h1H,(H,7,8)
InChIKeyGOBKSJVKEAEHTH-UHFFFAOYSA-N
MW199.01 g/mol
LogP1.60
Rot. Bonds2

About 2,2-dichloro-1,1-difluoroethanesulfinic acid

2,2-dichloro-1,1-difluoroethanesulfinic acid (PubChem CID 19782021) has the molecular formula C2H2Cl2F2O2S and a molecular weight of 199.01 g/mol. Its IUPAC name is 2,2-dichloro-1,1-difluoroethanesulfinic acid.

Molecular Properties

Compound Name2,2-dichloro-1,1-difluoroethanesulfinic acid
PubChem CID19782021
Molecular FormulaC2H2Cl2F2O2S
Molecular Weight199.01 g/mol
Exact Mass197.91
IUPAC Name2,2-dichloro-1,1-difluoroethanesulfinic acid
SMILESO=S(O)C(F)(F)C(Cl)Cl
InChIInChI=1S/C2H2Cl2F2O2S/c3-1(4)2(5,6)9(7)8/h1H,(H,7,8)
InChIKeyGOBKSJVKEAEHTH-UHFFFAOYSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 131886742
CID 131886742
1,1,1,2,3,3,3-heptafluoropropane-2-sulfinic acid
CID 12522022
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);sulfurous acid
CID 71441894
sodium;chloroform;hydride;sulfurous acid
CID 174803854
1,2,2,2-tetrafluoroethanesulfinic acid
CID 57279877
1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfinic acid
CID 166882534
1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid
CID 22186452
1,1,1-trifluoropropane-2-sulfinic acid
CID 90937368
4-(1-chloro-2,2,2-trifluoroethyl)benzenesulfinic acid
CID 174863817
2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride
CID 19786045
1,1,2,2,3,3-hexafluoro-3-sulfanylpropane-1-sulfinic acid
CID 162554930
1,1,2,2,3-pentafluoro-3-methylbutane-1-sulfinic acid
CID 87602942

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1,1-difluoroethanesulfinic acid?
The IUPAC name of 2,2-dichloro-1,1-difluoroethanesulfinic acid (CID 19782021) is 2,2-dichloro-1,1-difluoroethanesulfinic acid.
What is the SMILES notation for 2,2-dichloro-1,1-difluoroethanesulfinic acid?
The canonical SMILES for 2,2-dichloro-1,1-difluoroethanesulfinic acid is O=S(O)C(F)(F)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1,1-difluoroethanesulfinic acid?
The InChIKey is GOBKSJVKEAEHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2F2O2S/c3-1(4)2(5,6)9(7)8/h1H,(H,7,8).
What are the key properties of 2,2-dichloro-1,1-difluoroethanesulfinic acid?
2,2-dichloro-1,1-difluoroethanesulfinic acid has a molecular weight of 199.01 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1,1-difluoroethanesulfinic acid is sourced from PubChem (CID 19782021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).