O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine

C6H12FNO3S — CID 115020988

IUPACO-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine
SMILESNOCC(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C6H12FNO3S/c7-6(3-11-8)5-1-2-12(9,10)4-5/h5-6H,1-4,8H2
InChIKeyIMONLFJOIIDLGN-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.35
Rot. Bonds3

About O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine

O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine (PubChem CID 115020988) has the molecular formula C6H12FNO3S and a molecular weight of 197.23 g/mol. Its IUPAC name is O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine
PubChem CID115020988
Molecular FormulaC6H12FNO3S
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC NameO-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine
SMILESNOCC(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C6H12FNO3S/c7-6(3-11-8)5-1-2-12(9,10)4-5/h5-6H,1-4,8H2
InChIKeyIMONLFJOIIDLGN-UHFFFAOYSA-N
XLogP-0.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]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-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
CID 117104622
3-(1,1-dioxothiolan-3-yl)-4,4-difluorobutan-1-amine
CID 115036098
1-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroethanamine
CID 131521427
2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine
CID 103984175
methyl 2-(1,1-dioxothiolan-3-yl)-3-methoxypropanoate
CID 117238483
(1,1-dioxothian-4-yl)-fluoromethanamine
CID 105439422
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 115336614
2-(1,1-dioxothiolan-3-yl)propanediamide
CID 3152336
2-[(3R)-1,1-dioxothiolan-3-yl]propanediamide
CID 7073543
3-(1-bromo-3-methoxy-2-methylpropyl)thiolane 1,1-dioxide
CID 116502788
2-(1,1-dioxothiolan-3-yl)-3-methoxypropanoic acid
CID 103975911
O-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine
CID 115029011

Frequently Asked Questions

What is the IUPAC name of O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine?
The IUPAC name of O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine (CID 115020988) is O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine.
What is the SMILES notation for O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine?
The canonical SMILES for O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine is NOCC(F)C1CCS(=O)(=O)C1.
What is the InChIKey of O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine?
The InChIKey is IMONLFJOIIDLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO3S/c7-6(3-11-8)5-1-2-12(9,10)4-5/h5-6H,1-4,8H2.
What are the key properties of O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine?
O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine has a molecular weight of 197.23 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine is sourced from PubChem (CID 115020988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).