ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate

C16H21FN2O2 — CID 146439168

IUPACethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate
SMILESCCC/C(Cc1ccccc1F)=N\N=C(/C)C(=O)OCC
InChIInChI=1S/C16H21FN2O2/c1-4-8-14(11-13-9-6-7-10-15(13)17)19-18-12(3)16(20)21-5-2/h6-7,9-10H,4-5,8,11H2,1-3H3/b18-12+,19-14+
InChIKeyNQULKRLUQQJSDW-IJNKXORISA-N
MW292.35 g/mol
LogP3.55
Rot. Bonds7

About ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate

ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate (PubChem CID 146439168) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate
PubChem CID146439168
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Nameethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate
SMILESCCC/C(Cc1ccccc1F)=N\N=C(/C)C(=O)OCC
InChIInChI=1S/C16H21FN2O2/c1-4-8-14(11-13-9-6-7-10-15(13)17)19-18-12(3)16(20)21-5-2/h6-7,9-10H,4-5,8,11H2,1-3H3/b18-12+,19-14+
InChIKeyNQULKRLUQQJSDW-IJNKXORISA-N
XLogP3.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate?
The IUPAC name of ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate (CID 146439168) is ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate.
What is the SMILES notation for ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate?
The canonical SMILES for ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate is CCC/C(Cc1ccccc1F)=N\N=C(/C)C(=O)OCC.
What is the InChIKey of ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate?
The InChIKey is NQULKRLUQQJSDW-IJNKXORISA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-4-8-14(11-13-9-6-7-10-15(13)17)19-18-12(3)16(20)21-5-2/h6-7,9-10H,4-5,8,11H2,1-3H3/b18-12+,19-14+.
What are the key properties of ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate?
ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate has a molecular weight of 292.35 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(E)-1-(2-fluorophenyl)pentan-2-ylidenehydrazinylidene]propanoate is sourced from PubChem (CID 146439168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).