O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine

C8H9F2NOS — CID 117293315

IUPACO-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccccc1SC(F)F
InChIInChI=1S/C8H9F2NOS/c9-8(10)13-7-4-2-1-3-6(7)5-12-11/h1-4,8H,5,11H2
InChIKeyXNYMKKWFSAHCMO-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.39
Rot. Bonds4

About O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine

O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine (PubChem CID 117293315) has the molecular formula C8H9F2NOS and a molecular weight of 205.23 g/mol. Its IUPAC name is O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
PubChem CID117293315
Molecular FormulaC8H9F2NOS
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC NameO-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccccc1SC(F)F
InChIInChI=1S/C8H9F2NOS/c9-8(10)13-7-4-2-1-3-6(7)5-12-11/h1-4,8H,5,11H2
InChIKeyXNYMKKWFSAHCMO-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine 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

2-[2-(difluoromethylsulfanyl)phenyl]ethanol
CID 117292567
O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
CID 117293314
1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol
CID 117332597
[2-(difluoromethylsulfanyl)phenyl]methyl 2-(2-phenylethylamino)benzoate
CID 166376694
O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine
CID 117296938
1-(aminooxymethyl)anthracene-9,10-dione
CID 174884290
O-[[2-(2-methoxyphenyl)phenyl]methyl]hydroxylamine
CID 67132008
O-[(2-cyclopropylphenyl)methyl]hydroxylamine
CID 130051867
2-amino-1-[2-(difluoromethylsulfanyl)phenyl]ethanone
CID 117309153
2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methoxyphenol
CID 29271826
[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
CID 82005242
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494

Frequently Asked Questions

What is the IUPAC name of O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine (CID 117293315) is O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine is NOCc1ccccc1SC(F)F.
What is the InChIKey of O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine?
The InChIKey is XNYMKKWFSAHCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NOS/c9-8(10)13-7-4-2-1-3-6(7)5-12-11/h1-4,8H,5,11H2.
What are the key properties of O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine?
O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine has a molecular weight of 205.23 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117293315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).