[ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite

C5H8FN2O2P — CID 177248422

IUPAC[ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite
SMILESCCOP(OF)c1cn[nH]c1
InChIInChI=1S/C5H8FN2O2P/c1-2-9-11(10-6)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
InChIKeyCSMGTAKINSXBAU-UHFFFAOYSA-N
MW178.10 g/mol
LogP1.28
Rot. Bonds4

About [ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite

[ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite (PubChem CID 177248422) has the molecular formula C5H8FN2O2P and a molecular weight of 178.10 g/mol. Its IUPAC name is [ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite.

Molecular Properties

Compound Name[ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite
PubChem CID177248422
Molecular FormulaC5H8FN2O2P
Molecular Weight178.10 g/mol
Exact Mass178.03
IUPAC Name[ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite
SMILESCCOP(OF)c1cn[nH]c1
InChIInChI=1S/C5H8FN2O2P/c1-2-9-11(10-6)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
InChIKeyCSMGTAKINSXBAU-UHFFFAOYSA-N
XLogP1.28
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite?
The IUPAC name of [ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite (CID 177248422) is [ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite.
What is the SMILES notation for [ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite?
The canonical SMILES for [ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite is CCOP(OF)c1cn[nH]c1.
What is the InChIKey of [ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite?
The InChIKey is CSMGTAKINSXBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN2O2P/c1-2-9-11(10-6)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of [ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite?
[ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite has a molecular weight of 178.10 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite is sourced from PubChem (CID 177248422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).