(but-2-enoylamino)oxy-fluorophosphinic acid

C4H7FNO4P — CID 130422667

IUPAC(but-2-enoylamino)oxy-fluorophosphinic acid
SMILESCC=CC(=O)NOP(=O)(O)F
InChIInChI=1S/C4H7FNO4P/c1-2-3-4(7)6-10-11(5,8)9/h2-3H,1H3,(H,6,7)(H,8,9)
InChIKeyNLEVZEYVNJHLAW-UHFFFAOYSA-N
MW183.07 g/mol
LogP0.68
Rot. Bonds3

About (but-2-enoylamino)oxy-fluorophosphinic acid

(but-2-enoylamino)oxy-fluorophosphinic acid (PubChem CID 130422667) has the molecular formula C4H7FNO4P and a molecular weight of 183.07 g/mol. Its IUPAC name is (but-2-enoylamino)oxy-fluorophosphinic acid.

Molecular Properties

Compound Name(but-2-enoylamino)oxy-fluorophosphinic acid
PubChem CID130422667
Molecular FormulaC4H7FNO4P
Molecular Weight183.07 g/mol
Exact Mass183.01
IUPAC Name(but-2-enoylamino)oxy-fluorophosphinic acid
SMILESCC=CC(=O)NOP(=O)(O)F
InChIInChI=1S/C4H7FNO4P/c1-2-3-4(7)6-10-11(5,8)9/h2-3H,1H3,(H,6,7)(H,8,9)
InChIKeyNLEVZEYVNJHLAW-UHFFFAOYSA-N
XLogP0.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.07
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (but-2-enoylamino)oxy-fluorophosphinic acid?
The IUPAC name of (but-2-enoylamino)oxy-fluorophosphinic acid (CID 130422667) is (but-2-enoylamino)oxy-fluorophosphinic acid.
What is the SMILES notation for (but-2-enoylamino)oxy-fluorophosphinic acid?
The canonical SMILES for (but-2-enoylamino)oxy-fluorophosphinic acid is CC=CC(=O)NOP(=O)(O)F.
What is the InChIKey of (but-2-enoylamino)oxy-fluorophosphinic acid?
The InChIKey is NLEVZEYVNJHLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FNO4P/c1-2-3-4(7)6-10-11(5,8)9/h2-3H,1H3,(H,6,7)(H,8,9).
What are the key properties of (but-2-enoylamino)oxy-fluorophosphinic acid?
(but-2-enoylamino)oxy-fluorophosphinic acid has a molecular weight of 183.07 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (but-2-enoylamino)oxy-fluorophosphinic acid is sourced from PubChem (CID 130422667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).