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

C6H11F2NO3S — CID 115029011

IUPACO-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine
SMILESNOCC(F)(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C6H11F2NO3S/c7-6(8,4-12-9)5-1-2-13(10,11)3-5/h5H,1-4,9H2
InChIKeyPKHHIATZNDOOPC-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.05
Rot. Bonds3

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

O-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine (PubChem CID 115029011) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is O-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine
PubChem CID115029011
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC NameO-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine
SMILESNOCC(F)(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C6H11F2NO3S/c7-6(8,4-12-9)5-1-2-13(10,11)3-5/h5H,1-4,9H2
InChIKeyPKHHIATZNDOOPC-UHFFFAOYSA-N
XLogP-0.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-chloro-2-(chloromethyl)-3-methoxypropan-2-yl]thiolane 1,1-dioxide
CID 103985286
O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine
CID 115020988
2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine
CID 105463191
2-(1,1-dioxothian-4-yl)propan-2-amine
CID 82604372
diethyl 2-(1,1-dioxothiolan-3-yl)-2-propan-2-ylpropanedioate
CID 103972504
2-(1,1-dioxothiolan-3-yl)-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973459
1-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroethanamine
CID 131521427
3-[1-chloro-2-(chloromethyl)hexan-2-yl]thiolane 1,1-dioxide
CID 79447752
3-[1-chloro-2-(chloromethyl)-6-methoxyhexan-2-yl]thiolane 1,1-dioxide
CID 113437254
2-(1,1-dioxothiolan-3-yl)-2-ethoxycarbonyl-4,4-difluorobutanoic acid
CID 103973446
1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide
CID 82715812
3-[1-bromo-2-(bromomethyl)-3-cyclopentylpropan-2-yl]thiolane 1,1-dioxide
CID 79453015

Frequently Asked Questions

What is the IUPAC name of O-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine?
The IUPAC name of O-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine (CID 115029011) is O-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine.
What is the SMILES notation for O-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine?
The canonical SMILES for O-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine is NOCC(F)(F)C1CCS(=O)(=O)C1.
What is the InChIKey of O-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine?
The InChIKey is PKHHIATZNDOOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c7-6(8,4-12-9)5-1-2-13(10,11)3-5/h5H,1-4,9H2.
What are the key properties of O-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine?
O-[2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethyl]hydroxylamine has a molecular weight of 215.22 g/mol, XLogP of -0.05, 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)-2,2-difluoroethyl]hydroxylamine is sourced from PubChem (CID 115029011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).