[3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate

C11H13FN2O3 — CID 150065658

IUPAC[3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate
SMILESCC(=O)OCCC(=O)NNc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3/c1-8(15)17-7-6-11(16)14-13-10-4-2-9(12)3-5-10/h2-5,13H,6-7H2,1H3,(H,14,16)
InChIKeyDOFLSQQHXMPCOA-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.22
Rot. Bonds5

About [3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate

[3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate (PubChem CID 150065658) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate
PubChem CID150065658
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name[3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate
SMILESCC(=O)OCCC(=O)NNc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3/c1-8(15)17-7-6-11(16)14-13-10-4-2-9(12)3-5-10/h2-5,13H,6-7H2,1H3,(H,14,16)
InChIKeyDOFLSQQHXMPCOA-UHFFFAOYSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride
CID 130686411
N'-(4-fluorophenyl)hept-6-ynehydrazide
CID 126805755
3-(4-fluorophenyl)sulfanyl-N'-phenylpropanehydrazide
CID 102604414
(4-fluorophenyl)methyl acetate
CID 14793785
2-fluoro-N'-(4-methylphenyl)acetohydrazide
CID 23176925
2-(4-fluorophenyl)-N'-phenylacetohydrazide
CID 78774551
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
2-(N-amino-4-fluoroanilino)ethyl acetate
CID 174542148
(3-acetamido-3-oxopropyl) acetate
CID 20757985
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600
2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide
CID 136535352
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N'-(4-fluorophenyl)butanehydrazide
CID 126799900

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate?
The IUPAC name of [3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate (CID 150065658) is [3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate.
What is the SMILES notation for [3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate?
The canonical SMILES for [3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate is CC(=O)OCCC(=O)NNc1ccc(F)cc1.
What is the InChIKey of [3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate?
The InChIKey is DOFLSQQHXMPCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-8(15)17-7-6-11(16)14-13-10-4-2-9(12)3-5-10/h2-5,13H,6-7H2,1H3,(H,14,16).
What are the key properties of [3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate?
[3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate has a molecular weight of 240.23 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate is sourced from PubChem (CID 150065658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).