[1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine

C10H11BrF2N2 — CID 107541321

IUPAC[1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine
SMILESC=C(C)C(NN)c1ccc(F)c(F)c1Br
InChIInChI=1S/C10H11BrF2N2/c1-5(2)10(15-14)6-3-4-7(12)9(13)8(6)11/h3-4,10,15H,1,14H2,2H3
InChIKeyOVZKAOYNWQXQQD-UHFFFAOYSA-N
MW277.11 g/mol
LogP2.81
Rot. Bonds3

About [1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine

[1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine (PubChem CID 107541321) has the molecular formula C10H11BrF2N2 and a molecular weight of 277.11 g/mol. Its IUPAC name is [1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine
PubChem CID107541321
Molecular FormulaC10H11BrF2N2
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name[1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine
SMILESC=C(C)C(NN)c1ccc(F)c(F)c1Br
InChIInChI=1S/C10H11BrF2N2/c1-5(2)10(15-14)6-3-4-7(12)9(13)8(6)11/h3-4,10,15H,1,14H2,2H3
InChIKeyOVZKAOYNWQXQQD-UHFFFAOYSA-N
XLogP2.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2-fluorophenyl)-2-methylprop-2-enyl]hydrazine
CID 105216948
[1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 107541408
N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine
CID 105005495
(1S)-1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 103739050
1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 84699199
[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 107541299
[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]hydrazine
CID 105250399
[1-(4-bromo-2-methoxyphenyl)-2-methylprop-2-enyl]hydrazine
CID 105320210
[1-(5-fluoro-2-methylphenyl)-2-methylprop-2-enyl]hydrazine
CID 105211686
[(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 107541261
[(2-bromo-3,4-difluorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 107541248
[(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 107541415

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine?
The IUPAC name of [1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine (CID 107541321) is [1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine?
The canonical SMILES for [1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine is C=C(C)C(NN)c1ccc(F)c(F)c1Br.
What is the InChIKey of [1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine?
The InChIKey is OVZKAOYNWQXQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2/c1-5(2)10(15-14)6-3-4-7(12)9(13)8(6)11/h3-4,10,15H,1,14H2,2H3.
What are the key properties of [1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine?
[1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine has a molecular weight of 277.11 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine is sourced from PubChem (CID 107541321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).