3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid

C3H5F4NO2S — CID 58691892

IUPAC3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid
SMILESNCC(F)(F)C(F)(F)S(=O)O
InChIInChI=1S/C3H5F4NO2S/c4-2(5,1-8)3(6,7)11(9)10/h1,8H2,(H,9,10)
InChIKeyYKRZHAXJVJLQBX-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.39
Rot. Bonds3

About 3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid

3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid (PubChem CID 58691892) has the molecular formula C3H5F4NO2S and a molecular weight of 195.14 g/mol. Its IUPAC name is 3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid
PubChem CID58691892
Molecular FormulaC3H5F4NO2S
Molecular Weight195.14 g/mol
Exact Mass195.00
IUPAC Name3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid
SMILESNCC(F)(F)C(F)(F)S(=O)O
InChIInChI=1S/C3H5F4NO2S/c4-2(5,1-8)3(6,7)11(9)10/h1,8H2,(H,9,10)
InChIKeyYKRZHAXJVJLQBX-UHFFFAOYSA-N
XLogP0.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid?
The IUPAC name of 3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid (CID 58691892) is 3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid.
What is the SMILES notation for 3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid?
The canonical SMILES for 3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid is NCC(F)(F)C(F)(F)S(=O)O.
What is the InChIKey of 3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid?
The InChIKey is YKRZHAXJVJLQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4NO2S/c4-2(5,1-8)3(6,7)11(9)10/h1,8H2,(H,9,10).
What are the key properties of 3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid?
3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid has a molecular weight of 195.14 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,2,2-tetrafluoropropane-1-sulfinic acid is sourced from PubChem (CID 58691892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).