2-[sulfinato(trifluoromethyl)amino]propane

C4H7F3NO2S- — CID 57055945

IUPAC2-[sulfinato(trifluoromethyl)amino]propane
SMILESCC(C)N(S(=O)[O-])C(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-3(2)8(11(9)10)4(5,6)7/h3H,1-2H3,(H,9,10)/p-1
InChIKeyPDZAKMCLLWTFIT-UHFFFAOYSA-M
MW190.17 g/mol
LogP1.01
Rot. Bonds2

About 2-[sulfinato(trifluoromethyl)amino]propane

2-[sulfinato(trifluoromethyl)amino]propane (PubChem CID 57055945) has the molecular formula C4H7F3NO2S- and a molecular weight of 190.17 g/mol. Its IUPAC name is 2-[sulfinato(trifluoromethyl)amino]propane.

Molecular Properties

Compound Name2-[sulfinato(trifluoromethyl)amino]propane
PubChem CID57055945
Molecular FormulaC4H7F3NO2S-
Molecular Weight190.17 g/mol
Exact Mass190.02
IUPAC Name2-[sulfinato(trifluoromethyl)amino]propane
SMILESCC(C)N(S(=O)[O-])C(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-3(2)8(11(9)10)4(5,6)7/h3H,1-2H3,(H,9,10)/p-1
InChIKeyPDZAKMCLLWTFIT-UHFFFAOYSA-M
XLogP1.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[sulfinato(trifluoromethyl)amino]propane?
The IUPAC name of 2-[sulfinato(trifluoromethyl)amino]propane (CID 57055945) is 2-[sulfinato(trifluoromethyl)amino]propane.
What is the SMILES notation for 2-[sulfinato(trifluoromethyl)amino]propane?
The canonical SMILES for 2-[sulfinato(trifluoromethyl)amino]propane is CC(C)N(S(=O)[O-])C(F)(F)F.
What is the InChIKey of 2-[sulfinato(trifluoromethyl)amino]propane?
The InChIKey is PDZAKMCLLWTFIT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8F3NO2S/c1-3(2)8(11(9)10)4(5,6)7/h3H,1-2H3,(H,9,10)/p-1.
What are the key properties of 2-[sulfinato(trifluoromethyl)amino]propane?
2-[sulfinato(trifluoromethyl)amino]propane has a molecular weight of 190.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[sulfinato(trifluoromethyl)amino]propane is sourced from PubChem (CID 57055945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).