3-amino-1,1-difluoropropane-1-sulfinic acid

C3H7F2NO2S — CID 58692001

IUPAC3-amino-1,1-difluoropropane-1-sulfinic acid
SMILESNCCC(F)(F)S(=O)O
InChIInChI=1S/C3H7F2NO2S/c4-3(5,1-2-6)9(7)8/h1-2,6H2,(H,7,8)
InChIKeyZVGZMQXXRXVHSE-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.15
Rot. Bonds3

About 3-amino-1,1-difluoropropane-1-sulfinic acid

3-amino-1,1-difluoropropane-1-sulfinic acid (PubChem CID 58692001) has the molecular formula C3H7F2NO2S and a molecular weight of 159.16 g/mol. Its IUPAC name is 3-amino-1,1-difluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name3-amino-1,1-difluoropropane-1-sulfinic acid
PubChem CID58692001
Molecular FormulaC3H7F2NO2S
Molecular Weight159.16 g/mol
Exact Mass159.02
IUPAC Name3-amino-1,1-difluoropropane-1-sulfinic acid
SMILESNCCC(F)(F)S(=O)O
InChIInChI=1S/C3H7F2NO2S/c4-3(5,1-2-6)9(7)8/h1-2,6H2,(H,7,8)
InChIKeyZVGZMQXXRXVHSE-UHFFFAOYSA-N
XLogP0.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-1,1-difluoropropane-1-sulfinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-1,1-difluoropropane-1-sulfonic acid
CID 11499304
3-Amino-2,2-difluoropropane-1-sulfonic acid
CID 58691862
3-Amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid
CID 58691892
3-Amino-1,1,2,2-tetrafluoropropane-1-sulfonic acid
CID 58691930
3-Amino-2,2-difluoropropane-1-sulfinic acid
CID 58692043
2-Amino-1,1-difluoropropane-1-sulfonic acid
CID 141149026
3-Amino-1,2,2-trifluoropropane-1-sulfinic acid
CID 143236384
(2S)-2-amino-1,1-difluoropropane-1-sulfonic acid
CID 102237199
1-Amino-2,2-difluoroethane-1-sulfonic acid
CID 129939093
4-Amino-2,3,3-trifluorobutane-2-sulfinic acid
CID 162604029
4-Amino-1,1,2-trifluorobutane-1-sulfonic acid
CID 171490702
Ethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 171922832

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1-difluoropropane-1-sulfinic acid?
The IUPAC name of 3-amino-1,1-difluoropropane-1-sulfinic acid (CID 58692001) is 3-amino-1,1-difluoropropane-1-sulfinic acid.
What is the SMILES notation for 3-amino-1,1-difluoropropane-1-sulfinic acid?
The canonical SMILES for 3-amino-1,1-difluoropropane-1-sulfinic acid is NCCC(F)(F)S(=O)O.
What is the InChIKey of 3-amino-1,1-difluoropropane-1-sulfinic acid?
The InChIKey is ZVGZMQXXRXVHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO2S/c4-3(5,1-2-6)9(7)8/h1-2,6H2,(H,7,8).
What are the key properties of 3-amino-1,1-difluoropropane-1-sulfinic acid?
3-amino-1,1-difluoropropane-1-sulfinic acid has a molecular weight of 159.16 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1-difluoropropane-1-sulfinic acid is sourced from PubChem (CID 58692001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).