2-[sulfino(trifluoromethyl)amino]propane

C4H8F3NO2S — CID 57055946

IUPAC2-[sulfino(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)
InChIKeyPDZAKMCLLWTFIT-UHFFFAOYSA-N
MW191.17 g/mol
LogP1.35
Rot. Bonds2

About 2-[sulfino(trifluoromethyl)amino]propane

2-[sulfino(trifluoromethyl)amino]propane (PubChem CID 57055946) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is 2-[sulfino(trifluoromethyl)amino]propane.

Molecular Properties

Compound Name2-[sulfino(trifluoromethyl)amino]propane
PubChem CID57055946
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC Name2-[sulfino(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)
InChIKeyPDZAKMCLLWTFIT-UHFFFAOYSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoropropane-2-sulfinic acid
CID 90937368
3-methyl-2-(trifluoromethylsulfonyl)but-1-ene
CID 89138166
2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide
CID 3470893
2-[methylamino(sulfino)amino]propane
CID 150376162
lithium 2-[sulfinato(trifluoromethyl)carbamoyl]oxypropane
CID 165129206
1,1,1-trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane
CID 91273390
2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide
CID 71673125
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);sulfurous acid
CID 71441894
[[methyl(sulfino)amino]-sulfinoamino]methane
CID 23174157
ethane-1,1-disulfinic acid
CID 56623500
2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane
CID 174399036
3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine
CID 167040136

Frequently Asked Questions

What is the IUPAC name of 2-[sulfino(trifluoromethyl)amino]propane?
The IUPAC name of 2-[sulfino(trifluoromethyl)amino]propane (CID 57055946) is 2-[sulfino(trifluoromethyl)amino]propane.
What is the SMILES notation for 2-[sulfino(trifluoromethyl)amino]propane?
The canonical SMILES for 2-[sulfino(trifluoromethyl)amino]propane is CC(C)N(S(=O)O)C(F)(F)F.
What is the InChIKey of 2-[sulfino(trifluoromethyl)amino]propane?
The InChIKey is PDZAKMCLLWTFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c1-3(2)8(11(9)10)4(5,6)7/h3H,1-2H3,(H,9,10).
What are the key properties of 2-[sulfino(trifluoromethyl)amino]propane?
2-[sulfino(trifluoromethyl)amino]propane has a molecular weight of 191.17 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[sulfino(trifluoromethyl)amino]propane is sourced from PubChem (CID 57055946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).