(Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide

C9H7F2NO2 — CID 55267922

IUPAC(Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C\c1cc(F)c(O)c(F)c1
InChIInChI=1S/C9H7F2NO2/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,14H,(H2,12,13)/b2-1-
InChIKeyPQQYMGGEDDXOOL-UPHRSURJSA-N
MW199.16 g/mol
LogP1.17
Rot. Bonds2

About (Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide

(Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide (PubChem CID 55267922) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is (Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide
PubChem CID55267922
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name(Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C\c1cc(F)c(O)c(F)c1
InChIInChI=1S/C9H7F2NO2/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,14H,(H2,12,13)/b2-1-
InChIKeyPQQYMGGEDDXOOL-UPHRSURJSA-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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Related Compounds

3-(4-bromo-3-fluorophenyl)prop-2-enamide
CID 169482722
3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide
CID 70427358
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496
3-(3,5-dibromophenyl)prop-2-enamide
CID 169482889
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
1-(4-bromophenyl)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-en-1-one
CID 69053713
(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide
CID 55267143
(Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 170877218
3-[4-(2-fluorophenyl)phenyl]prop-2-enamide
CID 165348625
3-(3-fluoro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 165346678
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
3-(3-amino-5-chlorophenyl)prop-2-enamide
CID 169481525

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide (CID 55267922) is (Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide is NC(=O)/C=C\c1cc(F)c(O)c(F)c1.
What is the InChIKey of (Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide?
The InChIKey is PQQYMGGEDDXOOL-UPHRSURJSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,14H,(H2,12,13)/b2-1-.
What are the key properties of (Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide?
(Z)-3-(3,5-difluoro-4-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 (Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 55267922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).