3-amino-2,2-difluoropropane-1-sulfonic acid

C3H7F2NO3S — CID 58691862

IUPAC3-amino-2,2-difluoropropane-1-sulfonic acid
SMILESNCC(F)(F)CS(=O)(=O)O
InChIInChI=1S/C3H7F2NO3S/c4-3(5,1-6)2-10(7,8)9/h1-2,6H2,(H,7,8,9)
InChIKeyDGZINQISGRTAHN-UHFFFAOYSA-N
MW175.16 g/mol
LogP-0.53
Rot. Bonds3

About 3-amino-2,2-difluoropropane-1-sulfonic acid

3-amino-2,2-difluoropropane-1-sulfonic acid (PubChem CID 58691862) has the molecular formula C3H7F2NO3S and a molecular weight of 175.16 g/mol. Its IUPAC name is 3-amino-2,2-difluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name3-amino-2,2-difluoropropane-1-sulfonic acid
PubChem CID58691862
Molecular FormulaC3H7F2NO3S
Molecular Weight175.16 g/mol
Exact Mass175.01
IUPAC Name3-amino-2,2-difluoropropane-1-sulfonic acid
SMILESNCC(F)(F)CS(=O)(=O)O
InChIInChI=1S/C3H7F2NO3S/c4-3(5,1-6)2-10(7,8)9/h1-2,6H2,(H,7,8,9)
InChIKeyDGZINQISGRTAHN-UHFFFAOYSA-N
XLogP-0.53
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoropropane-1-sulfonic acid?
The IUPAC name of 3-amino-2,2-difluoropropane-1-sulfonic acid (CID 58691862) is 3-amino-2,2-difluoropropane-1-sulfonic acid.
What is the SMILES notation for 3-amino-2,2-difluoropropane-1-sulfonic acid?
The canonical SMILES for 3-amino-2,2-difluoropropane-1-sulfonic acid is NCC(F)(F)CS(=O)(=O)O.
What is the InChIKey of 3-amino-2,2-difluoropropane-1-sulfonic acid?
The InChIKey is DGZINQISGRTAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO3S/c4-3(5,1-6)2-10(7,8)9/h1-2,6H2,(H,7,8,9).
What are the key properties of 3-amino-2,2-difluoropropane-1-sulfonic acid?
3-amino-2,2-difluoropropane-1-sulfonic acid has a molecular weight of 175.16 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-difluoropropane-1-sulfonic acid is sourced from PubChem (CID 58691862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).