(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one

C10H11FN2O — CID 142023761

IUPAC(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
SMILESCC(=O)/C(=N\N)c1cc(F)ccc1C
InChIInChI=1S/C10H11FN2O/c1-6-3-4-8(11)5-9(6)10(13-12)7(2)14/h3-5H,12H2,1-2H3/b13-10+
InChIKeyZDQLJSGWYFTTDY-JLHYYAGUSA-N
MW194.21 g/mol
LogP1.39
Rot. Bonds2

About (1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one

(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one (PubChem CID 142023761) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is (1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one.

Molecular Properties

Compound Name(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
PubChem CID142023761
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
SMILESCC(=O)/C(=N\N)c1cc(F)ccc1C
InChIInChI=1S/C10H11FN2O/c1-6-3-4-8(11)5-9(6)10(13-12)7(2)14/h3-5H,12H2,1-2H3/b13-10+
InChIKeyZDQLJSGWYFTTDY-JLHYYAGUSA-N
XLogP1.39
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methylbenzene;(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
CID 142023760
(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
CID 86591919
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone
CID 116558686
(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone
CID 116598341
2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one
CID 131035867
ethane;5-fluoro-2-methyl-N-(2-methyliminoethanehydrazonoyl)benzamide;molecular hydrogen
CID 166548081
2-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-1-one
CID 116552398
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone
CID 116590821
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one?
The IUPAC name of (1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one (CID 142023761) is (1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one.
What is the SMILES notation for (1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one?
The canonical SMILES for (1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one is CC(=O)/C(=N\N)c1cc(F)ccc1C.
What is the InChIKey of (1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one?
The InChIKey is ZDQLJSGWYFTTDY-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-6-3-4-8(11)5-9(6)10(13-12)7(2)14/h3-5H,12H2,1-2H3/b13-10+.
What are the key properties of (1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one?
(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one has a molecular weight of 194.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one is sourced from PubChem (CID 142023761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).