(2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid

C12H12FNO3 — CID 143149454

IUPAC(2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid
SMILESO=C(O)/C(=C/C=C\Cc1ccc(F)cc1)NO
InChIInChI=1S/C12H12FNO3/c13-10-7-5-9(6-8-10)3-1-2-4-11(14-17)12(15)16/h1-2,4-8,14,17H,3H2,(H,15,16)/b2-1-,11-4-
InChIKeyYMFDXWAZORKBQH-GOLXNKMZSA-N
MW237.23 g/mol
LogP1.87
Rot. Bonds5

About (2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid

(2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid (PubChem CID 143149454) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is (2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid
PubChem CID143149454
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name(2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid
SMILESO=C(O)/C(=C/C=C\Cc1ccc(F)cc1)NO
InChIInChI=1S/C12H12FNO3/c13-10-7-5-9(6-8-10)3-1-2-4-11(14-17)12(15)16/h1-2,4-8,14,17H,3H2,(H,15,16)/b2-1-,11-4-
InChIKeyYMFDXWAZORKBQH-GOLXNKMZSA-N
XLogP1.87
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 5702627
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2-Amino-3-phenyl-2-propenoic Acid
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p-Fluoro-alpha-acetamidocinnamic Acid
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P-Fluoro-A-acetamidocinnamic acid
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Styryldehydroalanine
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Azidocinnamic acid
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2-Nitro-3-phenylprop-2-enoic acid
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Aethyl-Amidozimmtsaure
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2-Acetamido-3-(3-fluorophenyl)prop-2-enoic acid
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CID 18441895

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid?
The IUPAC name of (2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid (CID 143149454) is (2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid.
What is the SMILES notation for (2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid?
The canonical SMILES for (2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid is O=C(O)/C(=C/C=C\Cc1ccc(F)cc1)NO.
What is the InChIKey of (2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid?
The InChIKey is YMFDXWAZORKBQH-GOLXNKMZSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-10-7-5-9(6-8-10)3-1-2-4-11(14-17)12(15)16/h1-2,4-8,14,17H,3H2,(H,15,16)/b2-1-,11-4-.
What are the key properties of (2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid?
(2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid has a molecular weight of 237.23 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-(4-fluorophenyl)-2-(hydroxyamino)hexa-2,4-dienoic acid is sourced from PubChem (CID 143149454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).