O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine

C8H9F2NOS — CID 117293314

IUPACO-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
SMILESNOCc1cccc(SC(F)F)c1
InChIInChI=1S/C8H9F2NOS/c9-8(10)13-7-3-1-2-6(4-7)5-12-11/h1-4,8H,5,11H2
InChIKeyVXHWWNYSBWQSQK-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.39
Rot. Bonds4

About O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine

O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine (PubChem CID 117293314) has the molecular formula C8H9F2NOS and a molecular weight of 205.23 g/mol. Its IUPAC name is O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
PubChem CID117293314
Molecular FormulaC8H9F2NOS
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC NameO-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
SMILESNOCc1cccc(SC(F)F)c1
InChIInChI=1S/C8H9F2NOS/c9-8(10)13-7-3-1-2-6(4-7)5-12-11/h1-4,8H,5,11H2
InChIKeyVXHWWNYSBWQSQK-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-[[3-(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

O-[(3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117276756
1-[3-(difluoromethylsulfanyl)phenyl]-N-methoxymethanamine
CID 117312262
2-[3-(difluoromethylsulfanyl)phenyl]acetic acid
CID 117310720
2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine
CID 117309692
[3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride
CID 117434501
N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 66348149
O-[(3-iodophenyl)methyl]hydroxylamine
CID 25137641
O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine
CID 117293106
O-[(3-ethenylphenyl)methyl]hydroxylamine
CID 100921787
O-[[3-(methylamino)phenyl]methyl]hydroxylamine
CID 143975046
2-[3-(aminooxymethyl)phenoxy]acetaldehyde
CID 130193211
3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide
CID 119315962

Frequently Asked Questions

What is the IUPAC name of O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine (CID 117293314) is O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine is NOCc1cccc(SC(F)F)c1.
What is the InChIKey of O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine?
The InChIKey is VXHWWNYSBWQSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NOS/c9-8(10)13-7-3-1-2-6(4-7)5-12-11/h1-4,8H,5,11H2.
What are the key properties of O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine?
O-[[3-(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-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117293314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).