2-(4-fluorophenyl)-2-methoxyiminoethanol

C9H10FNO2 — CID 85449052

IUPAC2-(4-fluorophenyl)-2-methoxyiminoethanol
SMILESCON=C(CO)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2/c1-13-11-9(6-12)7-2-4-8(10)5-3-7/h2-5,12H,6H2,1H3
InChIKeyBSLUKGXEFSUCBN-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.17
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methoxyiminoethanol

2-(4-fluorophenyl)-2-methoxyiminoethanol (PubChem CID 85449052) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methoxyiminoethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methoxyiminoethanol
PubChem CID85449052
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name2-(4-fluorophenyl)-2-methoxyiminoethanol
SMILESCON=C(CO)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2/c1-13-11-9(6-12)7-2-4-8(10)5-3-7/h2-5,12H,6H2,1H3
InChIKeyBSLUKGXEFSUCBN-UHFFFAOYSA-N
XLogP1.17
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one oxime
CID 18462343
1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, oxime
CID 57355301
1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-ol
CID 13307489
Fluvoxamine metabolite F2
CID 154032615
3-Phenyl-5-hydroxymethylisoxazoline
CID 353147
2-Pentanone, 3-ethyl-3-hydroxy-, O-(phenylmethyl)oxime
CID 6509923
2-Hexanone, 3-hydroxy-3-methyl-, O-(phenylmethyl)oxime
CID 6510141
Cyclohexanone, 3-(4-(2-hydroxy-1-methylethyl)phenyl)-, oxime
CID 9588134
2-Cyclohexen-1-one, 3-(4-(2-hydroxy-1-methylethyl)phenyl)-, oxime
CID 9588136
2-Cyclohexen-1-one, 3-(4-(2-hydroxyethyl)phenyl)-, oxime
CID 9588137
N-(5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentylidene)hydroxylamine, (E)-
CID 11346398
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]tellanylpropan-1-ol
CID 155523631

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methoxyiminoethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-methoxyiminoethanol (CID 85449052) is 2-(4-fluorophenyl)-2-methoxyiminoethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methoxyiminoethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-methoxyiminoethanol is CON=C(CO)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methoxyiminoethanol?
The InChIKey is BSLUKGXEFSUCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-13-11-9(6-12)7-2-4-8(10)5-3-7/h2-5,12H,6H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-methoxyiminoethanol?
2-(4-fluorophenyl)-2-methoxyiminoethanol has a molecular weight of 183.18 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methoxyiminoethanol is sourced from PubChem (CID 85449052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).