1,1-difluoroethane;sulfurochloridic acid

C2H5ClF2O3S — CID 161235804

IUPAC1,1-difluoroethane;sulfurochloridic acid
SMILESCC(F)F.O=S(=O)(O)Cl
InChIInChI=1S/C2H4F2.ClHO3S/c1-2(3)4;1-5(2,3)4/h2H,1H3;(H,2,3,4)
InChIKeyUZIVMJOYQABHMN-UHFFFAOYSA-N
MW182.58 g/mol
LogP1.30
Rot. Bonds

About 1,1-difluoroethane;sulfurochloridic acid

1,1-difluoroethane;sulfurochloridic acid (PubChem CID 161235804) has the molecular formula C2H5ClF2O3S and a molecular weight of 182.58 g/mol. Its IUPAC name is 1,1-difluoroethane;sulfurochloridic acid.

Molecular Properties

Compound Name1,1-difluoroethane;sulfurochloridic acid
PubChem CID161235804
Molecular FormulaC2H5ClF2O3S
Molecular Weight182.58 g/mol
Exact Mass181.96
IUPAC Name1,1-difluoroethane;sulfurochloridic acid
SMILESCC(F)F.O=S(=O)(O)Cl
InChIInChI=1S/C2H4F2.ClHO3S/c1-2(3)4;1-5(2,3)4/h2H,1H3;(H,2,3,4)
InChIKeyUZIVMJOYQABHMN-UHFFFAOYSA-N
XLogP1.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.58
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

cobalt;sulfurochloridic acid
CID 174997282
sulfuric acid;tetramethylphosphanium
CID 87132357
fluoroform;methanesulfonyl chloride
CID 158897545
1,2-difluoropropane;trifluoromethanesulfonyl chloride
CID 87990471
1,1-difluoroethane
CID 6368
1-fluoro-2-hydroxypropane-1-sulfonic acid
CID 149010434
1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride
CID 174839844
cumene;sulfurochloridic acid
CID 23037521
methanesulfonyl chloride;trifluoromethanesulfonic acid
CID 174263970
chloroform;methanesulfonic acid
CID 158495186
copper;difluoromethanesulfonic acid
CID 174361368
sodium propane-2-sulfonic acid
CID 23363435

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethane;sulfurochloridic acid?
The IUPAC name of 1,1-difluoroethane;sulfurochloridic acid (CID 161235804) is 1,1-difluoroethane;sulfurochloridic acid.
What is the SMILES notation for 1,1-difluoroethane;sulfurochloridic acid?
The canonical SMILES for 1,1-difluoroethane;sulfurochloridic acid is CC(F)F.O=S(=O)(O)Cl.
What is the InChIKey of 1,1-difluoroethane;sulfurochloridic acid?
The InChIKey is UZIVMJOYQABHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2.ClHO3S/c1-2(3)4;1-5(2,3)4/h2H,1H3;(H,2,3,4).
What are the key properties of 1,1-difluoroethane;sulfurochloridic acid?
1,1-difluoroethane;sulfurochloridic acid has a molecular weight of 182.58 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethane;sulfurochloridic acid is sourced from PubChem (CID 161235804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).