(E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide

C9H7F2NO2 — CID 55266346

IUPAC(E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1c(F)ccc(F)c1O
InChIInChI=1S/C9H7F2NO2/c10-6-2-3-7(11)9(14)5(6)1-4-8(12)13/h1-4,14H,(H2,12,13)/b4-1+
InChIKeyHJWGDDKHSXFJAN-DAFODLJHSA-N
MW199.16 g/mol
LogP1.17
Rot. Bonds2

About (E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide

(E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide (PubChem CID 55266346) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is (E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide
PubChem CID55266346
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name(E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1c(F)ccc(F)c1O
InChIInChI=1S/C9H7F2NO2/c10-6-2-3-7(11)9(14)5(6)1-4-8(12)13/h1-4,14H,(H2,12,13)/b4-1+
InChIKeyHJWGDDKHSXFJAN-DAFODLJHSA-N
XLogP1.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide (CID 55266346) is (E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide is NC(=O)/C=C/c1c(F)ccc(F)c1O.
What is the InChIKey of (E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide?
The InChIKey is HJWGDDKHSXFJAN-DAFODLJHSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-6-2-3-7(11)9(14)5(6)1-4-8(12)13/h1-4,14H,(H2,12,13)/b4-1+.
What are the key properties of (E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide?
(E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide has a molecular weight of 199.16 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,6-difluoro-2-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 55266346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).