O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine

C6H12FNOS — CID 115013059

IUPACO-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine
SMILESNOCC(F)C1CCSC1
InChIInChI=1S/C6H12FNOS/c7-6(3-9-8)5-1-2-10-4-5/h5-6H,1-4,8H2
InChIKeyJIVQMLBLCDYDTL-UHFFFAOYSA-N
MW165.23 g/mol
LogP0.97
Rot. Bonds3

About O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine

O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine (PubChem CID 115013059) has the molecular formula C6H12FNOS and a molecular weight of 165.23 g/mol. Its IUPAC name is O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine
PubChem CID115013059
Molecular FormulaC6H12FNOS
Molecular Weight165.23 g/mol
Exact Mass165.06
IUPAC NameO-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine
SMILESNOCC(F)C1CCSC1
InChIInChI=1S/C6H12FNOS/c7-6(3-9-8)5-1-2-10-4-5/h5-6H,1-4,8H2
InChIKeyJIVQMLBLCDYDTL-UHFFFAOYSA-N
XLogP0.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
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-fluoro-3-(thiolan-3-yl)butan-1-amine
CID 115015001
2-cyclopropyl-1-(thiolan-3-yl)ethanamine
CID 105152914
[2-propan-2-yloxy-1-(thiolan-3-yl)ethyl]hydrazine
CID 105323843
3-methoxy-2-(thiolan-3-yl)propan-1-ol
CID 117238022
3-amino-1-(thiolan-3-yl)propan-1-ol
CID 82652261
2-(thiolan-3-yl)butan-1-amine
CID 82596112
3-methyl-1-(thiolan-3-yl)butan-1-amine
CID 105083374
2-aminooxy-1-cyclopropylethanol
CID 22286083
4,4-difluoro-3-(thiolan-3-yl)butanoic acid
CID 115026877
2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237264
1-(thiolan-3-yl)prop-2-enylhydrazine
CID 105318136
methyl 3-hydroxy-2-(thiolan-3-yl)propanoate
CID 117238513

Frequently Asked Questions

What is the IUPAC name of O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine (CID 115013059) is O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine is NOCC(F)C1CCSC1.
What is the InChIKey of O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine?
The InChIKey is JIVQMLBLCDYDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNOS/c7-6(3-9-8)5-1-2-10-4-5/h5-6H,1-4,8H2.
What are the key properties of O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine?
O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine has a molecular weight of 165.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-fluoro-2-(thiolan-3-yl)ethyl]hydroxylamine is sourced from PubChem (CID 115013059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).