ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate

C11H11BrF2N2O2 — CID 140687018

IUPACethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N\Nc1ccc(F)c(F)c1Br
InChIInChI=1S/C11H11BrF2N2O2/c1-3-18-11(17)6(2)15-16-8-5-4-7(13)10(14)9(8)12/h4-5,16H,3H2,1-2H3/b15-6-
InChIKeyZTNCNOXKAYEIIW-UUASQNMZSA-N
MW321.12 g/mol
LogP3.08
Rot. Bonds4

About ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate

ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate (PubChem CID 140687018) has the molecular formula C11H11BrF2N2O2 and a molecular weight of 321.12 g/mol. Its IUPAC name is ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate
PubChem CID140687018
Molecular FormulaC11H11BrF2N2O2
Molecular Weight321.12 g/mol
Exact Mass320.00
IUPAC Nameethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N\Nc1ccc(F)c(F)c1Br
InChIInChI=1S/C11H11BrF2N2O2/c1-3-18-11(17)6(2)15-16-8-5-4-7(13)10(14)9(8)12/h4-5,16H,3H2,1-2H3/b15-6-
InChIKeyZTNCNOXKAYEIIW-UUASQNMZSA-N
XLogP3.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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

ethyl (2Z)-2-[(2-fluoro-5-methylphenyl)hydrazinylidene]propanoate
CID 87824390
ethyl (2E)-2-[(4-bromo-2-ethylphenyl)hydrazinylidene]propanoate
CID 75480535
ethyl (2E)-2-[(2-bromo-4-methoxyphenyl)hydrazinylidene]propanoate
CID 118341164
ethyl (2E)-2-[[2-(2,2-dimethylpropyl)-4-fluorophenyl]hydrazinylidene]propanoate
CID 146363539
ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate
CID 87613195
ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate
CID 18735268
ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate
CID 177479961
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
ethyl 3-(2-bromo-3,4-difluorophenyl)-3-oxopropanoate
CID 107539657
ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
CID 5377178
ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate
CID 59664793
methyl N-(2-bromo-3,4-difluorophenyl)carbamate
CID 71304380

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate?
The IUPAC name of ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate (CID 140687018) is ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate.
What is the SMILES notation for ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate?
The canonical SMILES for ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate is CCOC(=O)/C(C)=N\Nc1ccc(F)c(F)c1Br.
What is the InChIKey of ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate?
The InChIKey is ZTNCNOXKAYEIIW-UUASQNMZSA-N. The full InChI is InChI=1S/C11H11BrF2N2O2/c1-3-18-11(17)6(2)15-16-8-5-4-7(13)10(14)9(8)12/h4-5,16H,3H2,1-2H3/b15-6-.
What are the key properties of ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate?
ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate has a molecular weight of 321.12 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate is sourced from PubChem (CID 140687018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).