1-fluoro-2-methylpropane-1-sulfinic acid

C4H9FO2S — CID 141053221

IUPAC1-fluoro-2-methylpropane-1-sulfinic acid
SMILESCC(C)C(F)S(=O)O
InChIInChI=1S/C4H9FO2S/c1-3(2)4(5)8(6)7/h3-4H,1-2H3,(H,6,7)
InChIKeyWTCZJXKFHSQWGN-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.16
Rot. Bonds2

About 1-fluoro-2-methylpropane-1-sulfinic acid

1-fluoro-2-methylpropane-1-sulfinic acid (PubChem CID 141053221) has the molecular formula C4H9FO2S and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-fluoro-2-methylpropane-1-sulfinic acid.

Molecular Properties

Compound Name1-fluoro-2-methylpropane-1-sulfinic acid
PubChem CID141053221
Molecular FormulaC4H9FO2S
Molecular Weight140.18 g/mol
Exact Mass140.03
IUPAC Name1-fluoro-2-methylpropane-1-sulfinic acid
SMILESCC(C)C(F)S(=O)O
InChIInChI=1S/C4H9FO2S/c1-3(2)4(5)8(6)7/h3-4H,1-2H3,(H,6,7)
InChIKeyWTCZJXKFHSQWGN-UHFFFAOYSA-N
XLogP1.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylpropane-1-sulfinic acid?
The IUPAC name of 1-fluoro-2-methylpropane-1-sulfinic acid (CID 141053221) is 1-fluoro-2-methylpropane-1-sulfinic acid.
What is the SMILES notation for 1-fluoro-2-methylpropane-1-sulfinic acid?
The canonical SMILES for 1-fluoro-2-methylpropane-1-sulfinic acid is CC(C)C(F)S(=O)O.
What is the InChIKey of 1-fluoro-2-methylpropane-1-sulfinic acid?
The InChIKey is WTCZJXKFHSQWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2S/c1-3(2)4(5)8(6)7/h3-4H,1-2H3,(H,6,7).
What are the key properties of 1-fluoro-2-methylpropane-1-sulfinic acid?
1-fluoro-2-methylpropane-1-sulfinic acid has a molecular weight of 140.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylpropane-1-sulfinic acid is sourced from PubChem (CID 141053221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).