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

C8H9FNO6P — CID 167046531

IUPAC(5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate
SMILESC#CCOP(=O)(F)NC(=O)OC1COC(=O)C1
InChIInChI=1S/C8H9FNO6P/c1-2-3-15-17(9,13)10-8(12)16-6-4-7(11)14-5-6/h1,6H,3-5H2,(H,10,12,13)
InChIKeyWXUCZNMBXZYHKJ-UHFFFAOYSA-N
MW265.13 g/mol
LogP0.76
Rot. Bonds4

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

(5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate (PubChem CID 167046531) has the molecular formula C8H9FNO6P and a molecular weight of 265.13 g/mol. Its IUPAC name is (5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate.

Molecular Properties

Compound Name(5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate
PubChem CID167046531
Molecular FormulaC8H9FNO6P
Molecular Weight265.13 g/mol
Exact Mass265.02
IUPAC Name(5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate
SMILESC#CCOP(=O)(F)NC(=O)OC1COC(=O)C1
InChIInChI=1S/C8H9FNO6P/c1-2-3-15-17(9,13)10-8(12)16-6-4-7(11)14-5-6/h1,6H,3-5H2,(H,10,12,13)
InChIKeyWXUCZNMBXZYHKJ-UHFFFAOYSA-N
XLogP0.76
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[fluoro(prop-2-ynoxy)phosphoryl]carbamate?
The IUPAC name of (5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate (CID 167046531) is (5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate.
What is the SMILES notation for (5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate?
The canonical SMILES for (5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate is C#CCOP(=O)(F)NC(=O)OC1COC(=O)C1.
What is the InChIKey of (5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate?
The InChIKey is WXUCZNMBXZYHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FNO6P/c1-2-3-15-17(9,13)10-8(12)16-6-4-7(11)14-5-6/h1,6H,3-5H2,(H,10,12,13).
What are the key properties of (5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate?
(5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate has a molecular weight of 265.13 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxooxolan-3-yl) N-[fluoro(prop-2-ynoxy)phosphoryl]carbamate is sourced from PubChem (CID 167046531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).