(5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate

C8H10FN2O6P — CID 167046539

IUPAC(5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate
SMILESC#CCOP(=O)(F)N(N)C(=O)OC1COC(=O)C1
InChIInChI=1S/C8H10FN2O6P/c1-2-3-16-18(9,14)11(10)8(13)17-6-4-7(12)15-5-6/h1,6H,3-5,10H2
InChIKeyJFOGKFHOZFAWOP-UHFFFAOYSA-N
MW280.15 g/mol
LogP0.34
Rot. Bonds4

About (5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate

(5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate (PubChem CID 167046539) has the molecular formula C8H10FN2O6P and a molecular weight of 280.15 g/mol. Its IUPAC name is (5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate.

Molecular Properties

Compound Name(5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate
PubChem CID167046539
Molecular FormulaC8H10FN2O6P
Molecular Weight280.15 g/mol
Exact Mass280.03
IUPAC Name(5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate
SMILESC#CCOP(=O)(F)N(N)C(=O)OC1COC(=O)C1
InChIInChI=1S/C8H10FN2O6P/c1-2-3-16-18(9,14)11(10)8(13)17-6-4-7(12)15-5-6/h1,6H,3-5,10H2
InChIKeyJFOGKFHOZFAWOP-UHFFFAOYSA-N
XLogP0.34
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate?
The IUPAC name of (5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate (CID 167046539) is (5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate.
What is the SMILES notation for (5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate?
The canonical SMILES for (5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate is C#CCOP(=O)(F)N(N)C(=O)OC1COC(=O)C1.
What is the InChIKey of (5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate?
The InChIKey is JFOGKFHOZFAWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN2O6P/c1-2-3-16-18(9,14)11(10)8(13)17-6-4-7(12)15-5-6/h1,6H,3-5,10H2.
What are the key properties of (5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate?
(5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate has a molecular weight of 280.15 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxooxolan-3-yl) N-amino-N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate is sourced from PubChem (CID 167046539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).