(E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one

C10H10FNO2 — CID 2223624

IUPAC(E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one
SMILESC/C=C(/NO)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c1-2-9(12-14)10(13)7-3-5-8(11)6-4-7/h2-6,12,14H,1H3/b9-2+
InChIKeyHVUNGTBKRWZBQO-XNWCZRBMSA-N
MW195.19 g/mol
LogP1.89
Rot. Bonds3

About (E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one

(E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one (PubChem CID 2223624) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one
PubChem CID2223624
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name(E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one
SMILESC/C=C(/NO)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c1-2-9(12-14)10(13)7-3-5-8(11)6-4-7/h2-6,12,14H,1H3/b9-2+
InChIKeyHVUNGTBKRWZBQO-XNWCZRBMSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
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'}

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Related Compounds

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CID 11031415
3-fluoro-N-hydroxy-4-methylbenzamide
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(Z)-3-Amino-4,4,4-trifluoro-1-phenyl-2-buten-1-one
CID 5376101
1-Propanone, 2-amino-1-(4-fluorophenyl)-
CID 12914880
Crotonophenone, 3-amino-
CID 5524548
3-Amino-4,4,5,5,6,6,6-heptafluoro-1-phenylhex-2-en-1-one
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3-Amino-1-phenyl-2-buten-1-one
CID 318534
2-Fluorophenacylamine hydrochloride
CID 13290663
2-Amino-1-(3-fluorophenyl)ethan-1-one hydrochloride
CID 13290665
2-Amino-1-(4-fluorophenyl)ethan-1-one hydrochloride
CID 13290666
2-Amino-1-(4-fluorophenyl)ethanone
CID 1581177
(Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one
CID 823186

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one?
The IUPAC name of (E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one (CID 2223624) is (E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one?
The canonical SMILES for (E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one is C/C=C(/NO)C(=O)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one?
The InChIKey is HVUNGTBKRWZBQO-XNWCZRBMSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-2-9(12-14)10(13)7-3-5-8(11)6-4-7/h2-6,12,14H,1H3/b9-2+.
What are the key properties of (E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one?
(E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one has a molecular weight of 195.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-2-(hydroxyamino)but-2-en-1-one is sourced from PubChem (CID 2223624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).