1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride

C4H10ClFO3S — CID 174839844

IUPAC1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride
SMILESCC(C)C(F)S(=O)(=O)O.Cl
InChIInChI=1S/C4H9FO3S.ClH/c1-3(2)4(5)9(6,7)8;/h3-4H,1-2H3,(H,6,7,8);1H
InChIKeyBBIBGTRXJUHYRN-UHFFFAOYSA-N
MW192.64 g/mol
LogP1.25
Rot. Bonds2

About 1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride

1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride (PubChem CID 174839844) has the molecular formula C4H10ClFO3S and a molecular weight of 192.64 g/mol. Its IUPAC name is 1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride
PubChem CID174839844
Molecular FormulaC4H10ClFO3S
Molecular Weight192.64 g/mol
Exact Mass192.00
IUPAC Name1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride
SMILESCC(C)C(F)S(=O)(=O)O.Cl
InChIInChI=1S/C4H9FO3S.ClH/c1-3(2)4(5)9(6,7)8;/h3-4H,1-2H3,(H,6,7,8);1H
InChIKeyBBIBGTRXJUHYRN-UHFFFAOYSA-N
XLogP1.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.64
LogP ≤ 51.25
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

1-fluoro-2-hydroxypropane-1-sulfonic acid
CID 149010434
1,1-difluoroethane;sulfurochloridic acid
CID 161235804
sulfuric acid;tetramethylphosphanium
CID 87132357
sodium propane-2-sulfonic acid
CID 23363435
copper;difluoromethanesulfonic acid
CID 174361368
1,2,3,4-tetrafluoro-4-hydroxybutane-1-sulfonic acid
CID 175187985
sodium;hydride;1-hydroxyethanesulfonic acid;hydrochloride
CID 173117052
1-fluoro-2-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
CID 150023778
fluoro(sulfanyl)methanesulfonic acid
CID 175256377
2-deuteriopropane-2-sulfonic acid
CID 172728862
1-fluoropropane-2-sulfonic acid;hydrofluoride
CID 174429339
1-aminooxy-2-methylpropane-1-sulfonic acid
CID 141379362

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride?
The IUPAC name of 1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride (CID 174839844) is 1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride.
What is the SMILES notation for 1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride?
The canonical SMILES for 1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride is CC(C)C(F)S(=O)(=O)O.Cl.
What is the InChIKey of 1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride?
The InChIKey is BBIBGTRXJUHYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S.ClH/c1-3(2)4(5)9(6,7)8;/h3-4H,1-2H3,(H,6,7,8);1H.
What are the key properties of 1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride?
1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride has a molecular weight of 192.64 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride is sourced from PubChem (CID 174839844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).