imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane

C7H6F3NOS — CID 15587413

IUPACimino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane
SMILES[H]N=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5,11H
InChIKeyOWOIUZZQTKKJGH-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.61
Rot. Bonds1

About imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane

imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane (PubChem CID 15587413) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane.

Molecular Properties

Compound Nameimino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane
PubChem CID15587413
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Nameimino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane
SMILES[H]N=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5,11H
InChIKeyOWOIUZZQTKKJGH-UHFFFAOYSA-N
XLogP2.61
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Difluorobenzenesulfonamide
CID 574964
Methyl phenyl sulfoxide
CID 14516
2,5-Difluorobenzenesulfonamide
CID 147822
(Diphenylimino-lambda6-sulfanyl)one
CID 425251
((Trifluoromethyl)thio)benzene
CID 68011
[(Difluoromethyl)thio]benzene
CID 73752
Phenyl Trifluoromethyl Sulfone
CID 555605
1-Fluoro-4-trifluoromethanesulfonylbenzene
CID 3685201
(R)-methyl phenyl sulfoxide
CID 11410727
2,3-Difluorobenzene-1-sulfonamide
CID 22736214
Difluoromethanesulfonylbenzene
CID 11816356
1-[(Difluoromethyl)sulfanyl]-4-fluorobenzene
CID 82074956

Frequently Asked Questions

What is the IUPAC name of imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane?
The IUPAC name of imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane (CID 15587413) is imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane.
What is the SMILES notation for imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane?
The canonical SMILES for imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane is [H]N=S(=O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane?
The InChIKey is OWOIUZZQTKKJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5,11H.
What are the key properties of imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane?
imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane has a molecular weight of 209.19 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-oxo-phenyl-(trifluoromethyl)-lambda6-sulfane is sourced from PubChem (CID 15587413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).