(2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid

C6H5F3NO5P — CID 140810988

IUPAC(2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid
SMILESO=C1C=CC(=O)N1P(=O)(O)OCC(F)(F)F
InChIInChI=1S/C6H5F3NO5P/c7-6(8,9)3-15-16(13,14)10-4(11)1-2-5(10)12/h1-2H,3H2,(H,13,14)
InChIKeyHAZVURRCVFNIAO-UHFFFAOYSA-N
MW259.08 g/mol
LogP0.59
Rot. Bonds3

About (2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid

(2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid (PubChem CID 140810988) has the molecular formula C6H5F3NO5P and a molecular weight of 259.08 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid
PubChem CID140810988
Molecular FormulaC6H5F3NO5P
Molecular Weight259.08 g/mol
Exact Mass258.99
IUPAC Name(2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid
SMILESO=C1C=CC(=O)N1P(=O)(O)OCC(F)(F)F
InChIInChI=1S/C6H5F3NO5P/c7-6(8,9)3-15-16(13,14)10-4(11)1-2-5(10)12/h1-2H,3H2,(H,13,14)
InChIKeyHAZVURRCVFNIAO-UHFFFAOYSA-N
XLogP0.59
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid?
The IUPAC name of (2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid (CID 140810988) is (2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid?
The canonical SMILES for (2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid is O=C1C=CC(=O)N1P(=O)(O)OCC(F)(F)F.
What is the InChIKey of (2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid?
The InChIKey is HAZVURRCVFNIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3NO5P/c7-6(8,9)3-15-16(13,14)10-4(11)1-2-5(10)12/h1-2H,3H2,(H,13,14).
What are the key properties of (2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid?
(2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid has a molecular weight of 259.08 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl)-(2,2,2-trifluoroethoxy)phosphinic acid is sourced from PubChem (CID 140810988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).