(2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one

C9H8FNO2 — CID 59061934

IUPAC(2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one
SMILESC/C(=N\O)C(=O)c1ccccc1F
InChIInChI=1S/C9H8FNO2/c1-6(11-13)9(12)7-4-2-3-5-8(7)10/h2-5,13H,1H3/b11-6+
InChIKeyHTLKOYUVLYJZSM-IZZDOVSWSA-N
MW181.17 g/mol
LogP1.86
Rot. Bonds2

About (2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one

(2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one (PubChem CID 59061934) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is (2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one.

Molecular Properties

Compound Name(2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one
PubChem CID59061934
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name(2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one
SMILESC/C(=N\O)C(=O)c1ccccc1F
InChIInChI=1S/C9H8FNO2/c1-6(11-13)9(12)7-4-2-3-5-8(7)10/h2-5,13H,1H3/b11-6+
InChIKeyHTLKOYUVLYJZSM-IZZDOVSWSA-N
XLogP1.86
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one?
The IUPAC name of (2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one (CID 59061934) is (2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one.
What is the SMILES notation for (2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one?
The canonical SMILES for (2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one is C/C(=N\O)C(=O)c1ccccc1F.
What is the InChIKey of (2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one?
The InChIKey is HTLKOYUVLYJZSM-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-6(11-13)9(12)7-4-2-3-5-8(7)10/h2-5,13H,1H3/b11-6+.
What are the key properties of (2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one?
(2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one has a molecular weight of 181.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2-fluorophenyl)-2-hydroxyiminopropan-1-one is sourced from PubChem (CID 59061934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).