[3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate

C10H8FNO4 — CID 174567720

IUPAC[3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate
SMILESO=COC(=CO)C(=O)Nc1ccccc1F
InChIInChI=1S/C10H8FNO4/c11-7-3-1-2-4-8(7)12-10(15)9(5-13)16-6-14/h1-6,13H,(H,12,15)
InChIKeyZDAWKFDTBPHBAA-UHFFFAOYSA-N
MW225.18 g/mol
LogP1.34
Rot. Bonds4

About [3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate

[3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate (PubChem CID 174567720) has the molecular formula C10H8FNO4 and a molecular weight of 225.18 g/mol. Its IUPAC name is [3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate.

Molecular Properties

Compound Name[3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate
PubChem CID174567720
Molecular FormulaC10H8FNO4
Molecular Weight225.18 g/mol
Exact Mass225.04
IUPAC Name[3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate
SMILESO=COC(=CO)C(=O)Nc1ccccc1F
InChIInChI=1S/C10H8FNO4/c11-7-3-1-2-4-8(7)12-10(15)9(5-13)16-6-14/h1-6,13H,(H,12,15)
InChIKeyZDAWKFDTBPHBAA-UHFFFAOYSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
(Z)-4-(2-fluoroanilino)-3-methyl-4-oxobut-2-enoic acid
CID 7344015
2-bromo-N-(2-fluorophenyl)but-2-enamide
CID 54001834
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide
CID 108520680
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
CID 4123319
2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 27131160
phenyl N-(2-fluorophenyl)carbamate
CID 3790948
1-ethenyl-3-(2-fluorophenyl)urea
CID 108909167
N-(3-acetamidophenyl)-N'-(2-fluorophenyl)oxamide
CID 108520808
2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide
CID 4065787
N-(2-fluorophenyl)-N'-methyl-N'-phenyloxamide
CID 108520782

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate?
The IUPAC name of [3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate (CID 174567720) is [3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate.
What is the SMILES notation for [3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate?
The canonical SMILES for [3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate is O=COC(=CO)C(=O)Nc1ccccc1F.
What is the InChIKey of [3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate?
The InChIKey is ZDAWKFDTBPHBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO4/c11-7-3-1-2-4-8(7)12-10(15)9(5-13)16-6-14/h1-6,13H,(H,12,15).
What are the key properties of [3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate?
[3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate has a molecular weight of 225.18 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate is sourced from PubChem (CID 174567720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).