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

C3H7F2NO3S — CID 141149026

IUPAC2-amino-1,1-difluoropropane-1-sulfonic acid
SMILESCC(N)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C3H7F2NO3S/c1-2(6)3(4,5)10(7,8)9/h2H,6H2,1H3,(H,7,8,9)
InChIKeyPUABLGJSDSAUNG-UHFFFAOYSA-N
MW175.16 g/mol
LogP-0.19
Rot. Bonds2

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

2-amino-1,1-difluoropropane-1-sulfonic acid (PubChem CID 141149026) has the molecular formula C3H7F2NO3S and a molecular weight of 175.16 g/mol. Its IUPAC name is 2-amino-1,1-difluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name2-amino-1,1-difluoropropane-1-sulfonic acid
PubChem CID141149026
Molecular FormulaC3H7F2NO3S
Molecular Weight175.16 g/mol
Exact Mass175.01
IUPAC Name2-amino-1,1-difluoropropane-1-sulfonic acid
SMILESCC(N)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C3H7F2NO3S/c1-2(6)3(4,5)10(7,8)9/h2H,6H2,1H3,(H,7,8,9)
InChIKeyPUABLGJSDSAUNG-UHFFFAOYSA-N
XLogP-0.19
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.19
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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Related Compounds

3-Amino-1,1-difluoropropane-1-sulfonic acid
CID 11499304
3-Amino-1,1,2,2-tetrafluoropropane-1-sulfonic acid
CID 58691930
3-Amino-1,1-difluoropropane-1-sulfinic acid
CID 58692001
Propan-2-amine;trifluoromethanesulfonic acid
CID 171927940
Pentan-3-amine;trifluoromethanesulfonic acid
CID 173013824
(2S)-2-amino-1,1-difluoropropane-1-sulfonic acid
CID 102237199
(2S)-2-amino-1,1-difluoropentane-1-sulfonic acid
CID 102237200
Ethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 171922832
2-Amino-1,1-difluoroethanesulfonic acid
CID 173817731

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1-difluoropropane-1-sulfonic acid?
The IUPAC name of 2-amino-1,1-difluoropropane-1-sulfonic acid (CID 141149026) is 2-amino-1,1-difluoropropane-1-sulfonic acid.
What is the SMILES notation for 2-amino-1,1-difluoropropane-1-sulfonic acid?
The canonical SMILES for 2-amino-1,1-difluoropropane-1-sulfonic acid is CC(N)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 2-amino-1,1-difluoropropane-1-sulfonic acid?
The InChIKey is PUABLGJSDSAUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO3S/c1-2(6)3(4,5)10(7,8)9/h2H,6H2,1H3,(H,7,8,9).
What are the key properties of 2-amino-1,1-difluoropropane-1-sulfonic acid?
2-amino-1,1-difluoropropane-1-sulfonic acid has a molecular weight of 175.16 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1-difluoropropane-1-sulfonic acid is sourced from PubChem (CID 141149026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).