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

C3H6F3NO2S — CID 143236384

IUPAC3-amino-1,2,2-trifluoropropane-1-sulfinic acid
SMILESNCC(F)(F)C(F)S(=O)O
InChIInChI=1S/C3H6F3NO2S/c4-2(10(8)9)3(5,6)1-7/h2H,1,7H2,(H,8,9)
InChIKeyBQMNYTHRJFOPHE-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.10
Rot. Bonds3

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

3-amino-1,2,2-trifluoropropane-1-sulfinic acid (PubChem CID 143236384) has the molecular formula C3H6F3NO2S and a molecular weight of 177.15 g/mol. Its IUPAC name is 3-amino-1,2,2-trifluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name3-amino-1,2,2-trifluoropropane-1-sulfinic acid
PubChem CID143236384
Molecular FormulaC3H6F3NO2S
Molecular Weight177.15 g/mol
Exact Mass177.01
IUPAC Name3-amino-1,2,2-trifluoropropane-1-sulfinic acid
SMILESNCC(F)(F)C(F)S(=O)O
InChIInChI=1S/C3H6F3NO2S/c4-2(10(8)9)3(5,6)1-7/h2H,1,7H2,(H,8,9)
InChIKeyBQMNYTHRJFOPHE-UHFFFAOYSA-N
XLogP0.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2r)-(3-Amino-2-fluoropropyl)sulphinic acid
CID 9964119
3-Amino-2-fluoropropane-1-sulfinic acid
CID 10313182
(2S)-3-amino-2-fluoropropane-1-sulfinic acid
CID 9964120
(2R)-3-amino-2-fluoropropane-1-sulfonic acid
CID 11228935
3-Amino-1,1-difluoropropane-1-sulfonic acid
CID 11499304
(2S)-3-amino-2-fluoropropane-1-sulfonic acid
CID 11629641
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-fluoropropane-1-sulfonic acid
CID 58691965
3-Amino-1,1-difluoropropane-1-sulfinic acid
CID 58692001
3-Amino-2,2-difluoropropane-1-sulfinic acid
CID 58692043

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,2,2-trifluoropropane-1-sulfinic acid?
The IUPAC name of 3-amino-1,2,2-trifluoropropane-1-sulfinic acid (CID 143236384) is 3-amino-1,2,2-trifluoropropane-1-sulfinic acid.
What is the SMILES notation for 3-amino-1,2,2-trifluoropropane-1-sulfinic acid?
The canonical SMILES for 3-amino-1,2,2-trifluoropropane-1-sulfinic acid is NCC(F)(F)C(F)S(=O)O.
What is the InChIKey of 3-amino-1,2,2-trifluoropropane-1-sulfinic acid?
The InChIKey is BQMNYTHRJFOPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO2S/c4-2(10(8)9)3(5,6)1-7/h2H,1,7H2,(H,8,9).
What are the key properties of 3-amino-1,2,2-trifluoropropane-1-sulfinic acid?
3-amino-1,2,2-trifluoropropane-1-sulfinic acid has a molecular weight of 177.15 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2,2-trifluoropropane-1-sulfinic acid is sourced from PubChem (CID 143236384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).