2,2-difluoropropane-1-sulfinic acid

C3H5F2O2S+ — CID 135993223

IUPAC2,2-difluoropropane-1-sulfinic acid
SMILES[CH2+]C(F)(F)CS(=O)O
InChIInChI=1S/C3H4F2O2S/c1-3(4,5)2-8(6)7/h1-2H2/p+1
InChIKeyMMUYPRGKZSIRKI-UHFFFAOYSA-O
MW143.13 g/mol
LogP0.68
Rot. Bonds2

About 2,2-difluoropropane-1-sulfinic acid

2,2-difluoropropane-1-sulfinic acid (PubChem CID 135993223) has the molecular formula C3H5F2O2S+ and a molecular weight of 143.13 g/mol. Its IUPAC name is 2,2-difluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name2,2-difluoropropane-1-sulfinic acid
PubChem CID135993223
Molecular FormulaC3H5F2O2S+
Molecular Weight143.13 g/mol
Exact Mass143.00
IUPAC Name2,2-difluoropropane-1-sulfinic acid
SMILES[CH2+]C(F)(F)CS(=O)O
InChIInChI=1S/C3H4F2O2S/c1-3(4,5)2-8(6)7/h1-2H2/p+1
InChIKeyMMUYPRGKZSIRKI-UHFFFAOYSA-O
XLogP0.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.13
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropane-1-sulfinic acid?
The IUPAC name of 2,2-difluoropropane-1-sulfinic acid (CID 135993223) is 2,2-difluoropropane-1-sulfinic acid.
What is the SMILES notation for 2,2-difluoropropane-1-sulfinic acid?
The canonical SMILES for 2,2-difluoropropane-1-sulfinic acid is [CH2+]C(F)(F)CS(=O)O.
What is the InChIKey of 2,2-difluoropropane-1-sulfinic acid?
The InChIKey is MMUYPRGKZSIRKI-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4F2O2S/c1-3(4,5)2-8(6)7/h1-2H2/p+1.
What are the key properties of 2,2-difluoropropane-1-sulfinic acid?
2,2-difluoropropane-1-sulfinic acid has a molecular weight of 143.13 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropane-1-sulfinic acid is sourced from PubChem (CID 135993223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).