2-chloro-1,1-difluoropropane-1-sulfonic acid

C3H5ClF2O3S — CID 150355629

IUPAC2-chloro-1,1-difluoropropane-1-sulfonic acid
SMILESCC(Cl)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C3H5ClF2O3S/c1-2(4)3(5,6)10(7,8)9/h2H,1H3,(H,7,8,9)
InChIKeyGUQRPQIECNQLFT-UHFFFAOYSA-N
MW194.59 g/mol
LogP1.09
Rot. Bonds2

About 2-chloro-1,1-difluoropropane-1-sulfonic acid

2-chloro-1,1-difluoropropane-1-sulfonic acid (PubChem CID 150355629) has the molecular formula C3H5ClF2O3S and a molecular weight of 194.59 g/mol. Its IUPAC name is 2-chloro-1,1-difluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name2-chloro-1,1-difluoropropane-1-sulfonic acid
PubChem CID150355629
Molecular FormulaC3H5ClF2O3S
Molecular Weight194.59 g/mol
Exact Mass193.96
IUPAC Name2-chloro-1,1-difluoropropane-1-sulfonic acid
SMILESCC(Cl)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C3H5ClF2O3S/c1-2(4)3(5,6)10(7,8)9/h2H,1H3,(H,7,8,9)
InChIKeyGUQRPQIECNQLFT-UHFFFAOYSA-N
XLogP1.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.59
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1,1,2-trifluoroethanesulfonic acid
CID 18504267
1,1-difluoro-2-propan-2-yloxypropane-1-sulfonic acid
CID 129070341
1,1-bis(trifluoromethylsulfonyl)ethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane
CID 89179091
1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]propane-1-sulfonic acid
CID 89106008
1-aminoethanol;trifluoromethanesulfonic acid
CID 87298984
methanesulfonyl chloride;trifluoromethanesulfonic acid
CID 174263970
iodomethane;trifluoromethanesulfonic acid
CID 87959782
methanethiol;trifluoromethanesulfonic acid
CID 171923949
azane;1,1,2-trifluorobutane-1-sulfonic acid
CID 173170473
chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid)
CID 162109712
butane-1,3-diol;bis(1,1,1,2,3,3,3-heptafluoropropane-2-sulfonic acid)
CID 87128174
platinum;trifluoromethanesulfonic acid
CID 87655055

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1-difluoropropane-1-sulfonic acid?
The IUPAC name of 2-chloro-1,1-difluoropropane-1-sulfonic acid (CID 150355629) is 2-chloro-1,1-difluoropropane-1-sulfonic acid.
What is the SMILES notation for 2-chloro-1,1-difluoropropane-1-sulfonic acid?
The canonical SMILES for 2-chloro-1,1-difluoropropane-1-sulfonic acid is CC(Cl)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 2-chloro-1,1-difluoropropane-1-sulfonic acid?
The InChIKey is GUQRPQIECNQLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF2O3S/c1-2(4)3(5,6)10(7,8)9/h2H,1H3,(H,7,8,9).
What are the key properties of 2-chloro-1,1-difluoropropane-1-sulfonic acid?
2-chloro-1,1-difluoropropane-1-sulfonic acid has a molecular weight of 194.59 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-difluoropropane-1-sulfonic acid is sourced from PubChem (CID 150355629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).