(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one

C9H7F2NO2 — CID 86591919

IUPAC(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
SMILESCC(=O)/C(=N\O)c1ccc(F)cc1F
InChIInChI=1S/C9H7F2NO2/c1-5(13)9(12-14)7-3-2-6(10)4-8(7)11/h2-4,14H,1H3/b12-9+
InChIKeyHHZNPSYZWZFAOZ-FMIVXFBMSA-N
MW199.16 g/mol
LogP1.73
Rot. Bonds2

About (1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one

(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one (PubChem CID 86591919) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is (1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one.

Molecular Properties

Compound Name(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
PubChem CID86591919
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
SMILESCC(=O)/C(=N\O)c1ccc(F)cc1F
InChIInChI=1S/C9H7F2NO2/c1-5(13)9(12-14)7-3-2-6(10)4-8(7)11/h2-4,14H,1H3/b12-9+
InChIKeyHHZNPSYZWZFAOZ-FMIVXFBMSA-N
XLogP1.73
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.73
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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Related Compounds

ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate
CID 72579109
1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one
CID 167534916
(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
CID 142023761
Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate
CID 151033646
2,4-difluoro-1-prop-1-en-2-ylbenzene
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2,4-difluorobenzoyl bromide
CID 87349807
2,4-difluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24697449
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908
2,4-difluorobenzamide;dihydrochloride
CID 22032026
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
(E)-5-(2,4-difluorophenyl)-3-methylidenehex-4-en-2-one
CID 166086953
1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one
CID 140546313

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one?
The IUPAC name of (1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one (CID 86591919) is (1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one.
What is the SMILES notation for (1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one?
The canonical SMILES for (1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one is CC(=O)/C(=N\O)c1ccc(F)cc1F.
What is the InChIKey of (1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one?
The InChIKey is HHZNPSYZWZFAOZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H7F2NO2/c1-5(13)9(12-14)7-3-2-6(10)4-8(7)11/h2-4,14H,1H3/b12-9+.
What are the key properties of (1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one?
(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one has a molecular weight of 199.16 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one is sourced from PubChem (CID 86591919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).