2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride

C8H5ClFNO2 — CID 75088887

IUPAC2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride
SMILESO=C(C(Cl)=NO)c1ccccc1F
InChIInChI=1S/C8H5ClFNO2/c9-8(11-13)7(12)5-3-1-2-4-6(5)10/h1-4,13H
InChIKeyQOTHHSODCSYTPO-UHFFFAOYSA-N
MW201.58 g/mol
LogP2.03
Rot. Bonds2

About 2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride

2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride (PubChem CID 75088887) has the molecular formula C8H5ClFNO2 and a molecular weight of 201.58 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride
PubChem CID75088887
Molecular FormulaC8H5ClFNO2
Molecular Weight201.58 g/mol
Exact Mass201.00
IUPAC Name2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride
SMILESO=C(C(Cl)=NO)c1ccccc1F
InChIInChI=1S/C8H5ClFNO2/c9-8(11-13)7(12)5-3-1-2-4-6(5)10/h1-4,13H
InChIKeyQOTHHSODCSYTPO-UHFFFAOYSA-N
XLogP2.03
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 22563899
N-[1-(2-fluorophenyl)-2-methylsulfonylpropylidene]hydroxylamine
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CID 122376658
(E)-3-(2-fluorophenyl)but-2-enoic acid
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CID 103456290

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride?
The IUPAC name of 2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride (CID 75088887) is 2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride.
What is the SMILES notation for 2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride?
The canonical SMILES for 2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride is O=C(C(Cl)=NO)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride?
The InChIKey is QOTHHSODCSYTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNO2/c9-8(11-13)7(12)5-3-1-2-4-6(5)10/h1-4,13H.
What are the key properties of 2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride?
2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride has a molecular weight of 201.58 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride is sourced from PubChem (CID 75088887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).