(E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide

C9H7F2NO2 — CID 55265867

IUPAC(E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1cc(F)cc(F)c1O
InChIInChI=1S/C9H7F2NO2/c10-6-3-5(1-2-8(12)13)9(14)7(11)4-6/h1-4,14H,(H2,12,13)/b2-1+
InChIKeyMIDFZTPQNIDODH-OWOJBTEDSA-N
MW199.16 g/mol
LogP1.17
Rot. Bonds2

About (E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide

(E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide (PubChem CID 55265867) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is (E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide
PubChem CID55265867
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name(E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1cc(F)cc(F)c1O
InChIInChI=1S/C9H7F2NO2/c10-6-3-5(1-2-8(12)13)9(14)7(11)4-6/h1-4,14H,(H2,12,13)/b2-1+
InChIKeyMIDFZTPQNIDODH-OWOJBTEDSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide (CID 55265867) is (E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide is NC(=O)/C=C/c1cc(F)cc(F)c1O.
What is the InChIKey of (E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide?
The InChIKey is MIDFZTPQNIDODH-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-6-3-5(1-2-8(12)13)9(14)7(11)4-6/h1-4,14H,(H2,12,13)/b2-1+.
What are the key properties of (E)-3-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide?
(E)-3-(3,5-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-(3,5-difluoro-2-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 55265867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).