imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane

C4H8F3NOS — CID 172535458

IUPACimino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane
SMILES[H]N=[S@](=O)(C(C)C)C(F)(F)F
InChIInChI=1S/C4H8F3NOS/c1-3(2)10(8,9)4(5,6)7/h3,8H,1-2H3/t10-/m0/s1
InChIKeyKBLQDUDKIMGLQA-JTQLQIEISA-N
MW175.18 g/mol
LogP1.96
Rot. Bonds1

About imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane

imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane (PubChem CID 172535458) has the molecular formula C4H8F3NOS and a molecular weight of 175.18 g/mol. Its IUPAC name is imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane.

Molecular Properties

Compound Nameimino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane
PubChem CID172535458
Molecular FormulaC4H8F3NOS
Molecular Weight175.18 g/mol
Exact Mass175.03
IUPAC Nameimino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane
SMILES[H]N=[S@](=O)(C(C)C)C(F)(F)F
InChIInChI=1S/C4H8F3NOS/c1-3(2)10(8,9)4(5,6)7/h3,8H,1-2H3/t10-/m0/s1
InChIKeyKBLQDUDKIMGLQA-JTQLQIEISA-N
XLogP1.96
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane 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

tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane
CID 125457263
methylidene-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane
CID 167588573
imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane
CID 165047245
1-(trifluoromethylsulfonyl)ethanol
CID 126732557
CID 159931303
CID 159931303
1-aminoethanol;trifluoromethanesulfonic acid
CID 87298984
trifluoro(methylsulfonyl)methane
CID 11215049
propan-2-yl trifluoromethanesulfonate
CID 10877967
3-methyl-2-(trifluoromethylsulfonyl)but-1-ene
CID 89138166
imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane
CID 167284370
sulfuric acid;tetramethylphosphanium
CID 87132357
CID 136785733
CID 136785733

Frequently Asked Questions

What is the IUPAC name of imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane?
The IUPAC name of imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane (CID 172535458) is imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane.
What is the SMILES notation for imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane?
The canonical SMILES for imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane is [H]N=[S@](=O)(C(C)C)C(F)(F)F.
What is the InChIKey of imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane?
The InChIKey is KBLQDUDKIMGLQA-JTQLQIEISA-N. The full InChI is InChI=1S/C4H8F3NOS/c1-3(2)10(8,9)4(5,6)7/h3,8H,1-2H3/t10-/m0/s1.
What are the key properties of imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane?
imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane has a molecular weight of 175.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane is sourced from PubChem (CID 172535458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).