[1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine

C13H20BrFN2O2 — CID 102929724

IUPAC[1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
SMILESCOCCOCCC(Cc1cccc(F)c1Br)NN
InChIInChI=1S/C13H20BrFN2O2/c1-18-7-8-19-6-5-11(17-16)9-10-3-2-4-12(15)13(10)14/h2-4,11,17H,5-9,16H2,1H3
InChIKeyKSRUXDIXUWHUQE-UHFFFAOYSA-N
MW335.22 g/mol
LogP2.02
Rot. Bonds9

About [1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine

[1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine (PubChem CID 102929724) has the molecular formula C13H20BrFN2O2 and a molecular weight of 335.22 g/mol. Its IUPAC name is [1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
PubChem CID102929724
Molecular FormulaC13H20BrFN2O2
Molecular Weight335.22 g/mol
Exact Mass334.07
IUPAC Name[1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
SMILESCOCCOCCC(Cc1cccc(F)c1Br)NN
InChIInChI=1S/C13H20BrFN2O2/c1-18-7-8-19-6-5-11(17-16)9-10-3-2-4-12(15)13(10)14/h2-4,11,17H,5-9,16H2,1H3
InChIKeyKSRUXDIXUWHUQE-UHFFFAOYSA-N
XLogP2.02
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927780
[1-(2-bromo-3-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105327024
4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259150
[1-(4-chloro-2-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929991
1-(2-bromo-3-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105172109
[1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine
CID 105327036
[1-(2-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205390
[1-(2-bromo-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105209469
[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102930015
[1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929781
[1-(2-bromo-3-fluorophenyl)-3-(3-bromophenyl)propan-2-yl]hydrazine
CID 105202695
2-[(2-bromo-3-fluorophenyl)methylamino]-4-methoxybutan-1-ol
CID 114210580

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine (CID 102929724) is [1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine is COCCOCCC(Cc1cccc(F)c1Br)NN.
What is the InChIKey of [1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
The InChIKey is KSRUXDIXUWHUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2O2/c1-18-7-8-19-6-5-11(17-16)9-10-3-2-4-12(15)13(10)14/h2-4,11,17H,5-9,16H2,1H3.
What are the key properties of [1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine?
[1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine has a molecular weight of 335.22 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 102929724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).