1-fluoropropan-2-yl sulfite

C3H6FO3S- — CID 174410711

IUPAC1-fluoropropan-2-yl sulfite
SMILESCC(CF)OS(=O)[O-]
InChIInChI=1S/C3H7FO3S/c1-3(2-4)7-8(5)6/h3H,2H2,1H3,(H,5,6)/p-1
InChIKeyTZBLPBRESOUMFM-UHFFFAOYSA-M
MW141.14 g/mol
LogP0.16
Rot. Bonds3

About 1-fluoropropan-2-yl sulfite

1-fluoropropan-2-yl sulfite (PubChem CID 174410711) has the molecular formula C3H6FO3S- and a molecular weight of 141.14 g/mol. Its IUPAC name is 1-fluoropropan-2-yl sulfite.

Molecular Properties

Compound Name1-fluoropropan-2-yl sulfite
PubChem CID174410711
Molecular FormulaC3H6FO3S-
Molecular Weight141.14 g/mol
Exact Mass141.00
IUPAC Name1-fluoropropan-2-yl sulfite
SMILESCC(CF)OS(=O)[O-]
InChIInChI=1S/C3H7FO3S/c1-3(2-4)7-8(5)6/h3H,2H2,1H3,(H,5,6)/p-1
InChIKeyTZBLPBRESOUMFM-UHFFFAOYSA-M
XLogP0.16
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluoropropan-2-yl sulfite?
The IUPAC name of 1-fluoropropan-2-yl sulfite (CID 174410711) is 1-fluoropropan-2-yl sulfite.
What is the SMILES notation for 1-fluoropropan-2-yl sulfite?
The canonical SMILES for 1-fluoropropan-2-yl sulfite is CC(CF)OS(=O)[O-].
What is the InChIKey of 1-fluoropropan-2-yl sulfite?
The InChIKey is TZBLPBRESOUMFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7FO3S/c1-3(2-4)7-8(5)6/h3H,2H2,1H3,(H,5,6)/p-1.
What are the key properties of 1-fluoropropan-2-yl sulfite?
1-fluoropropan-2-yl sulfite has a molecular weight of 141.14 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropan-2-yl sulfite is sourced from PubChem (CID 174410711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).