4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide

C7H7F2NO2S — CID 163153810

IUPAC4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide
SMILES[O-][NH+](O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C7H7F2NO2S/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7,10-11H
InChIKeyOIWNERCLEAWXFW-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.40
Rot. Bonds3

About 4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide

4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide (PubChem CID 163153810) has the molecular formula C7H7F2NO2S and a molecular weight of 207.20 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide
PubChem CID163153810
Molecular FormulaC7H7F2NO2S
Molecular Weight207.20 g/mol
Exact Mass207.02
IUPAC Name4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide
SMILES[O-][NH+](O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C7H7F2NO2S/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7,10-11H
InChIKeyOIWNERCLEAWXFW-UHFFFAOYSA-N
XLogP1.40
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(difluoromethylsulfanyl)phenyl]phenol
CID 83128258
1-tert-butyl-4-[fluoro(fluoro)methyl]sulfanylbenzene
CID 172516417
1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene
CID 14674272
N-hydroxy-4-(phenylsulfanylamino)benzeneamine oxide
CID 21142610
1-[4-(difluoromethylsulfanyl)phenyl]-2-methylguanidine
CID 62380007
[amino(diaminomethylideneazaniumyl)methylidene]-[4-(difluoromethylsulfanyl)phenyl]azanium
CID 6340085
1-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanamine
CID 61034381
3-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzoic acid
CID 107957106
N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide
CID 63176206
1-(diaminomethylidene)-2-[4-(difluoromethylsulfanyl)phenyl]guanidine chloride
CID 21178055
1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone
CID 117334188
(2R)-2-[[(1R)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]propan-1-ol
CID 97323095

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide (CID 163153810) is 4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide is [O-][NH+](O)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide?
The InChIKey is OIWNERCLEAWXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2S/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7,10-11H.
What are the key properties of 4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide?
4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide has a molecular weight of 207.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 163153810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).