[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine

C13H17BrClFN2O — CID 106765549

IUPAC[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine
SMILESCOC1(CC(NN)c2ccc(Br)c(Cl)c2F)CCC1
InChIInChI=1S/C13H17BrClFN2O/c1-19-13(5-2-6-13)7-10(18-17)8-3-4-9(14)11(15)12(8)16/h3-4,10,18H,2,5-7,17H2,1H3
InChIKeyONGDAXXRZJNTQQ-UHFFFAOYSA-N
MW351.65 g/mol
LogP3.71
Rot. Bonds5

About [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine

[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine (PubChem CID 106765549) has the molecular formula C13H17BrClFN2O and a molecular weight of 351.65 g/mol. Its IUPAC name is [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine
PubChem CID106765549
Molecular FormulaC13H17BrClFN2O
Molecular Weight351.65 g/mol
Exact Mass350.02
IUPAC Name[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine
SMILESCOC1(CC(NN)c2ccc(Br)c(Cl)c2F)CCC1
InChIInChI=1S/C13H17BrClFN2O/c1-19-13(5-2-6-13)7-10(18-17)8-3-4-9(14)11(15)12(8)16/h3-4,10,18H,2,5-7,17H2,1H3
InChIKeyONGDAXXRZJNTQQ-UHFFFAOYSA-N
XLogP3.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.65
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 106765612
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 106765272
[(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 106765410
[2-(1-methoxycyclobutyl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 103560516
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 106765191
[1-(4-bromo-3-chloro-2-fluorophenyl)-2,2-dimethoxyethyl]hydrazine
CID 106765325
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 106763019
1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556161
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 106765387
1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556380
(4-bromo-3-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 106763038
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine
CID 106765297

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine (CID 106765549) is [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine is COC1(CC(NN)c2ccc(Br)c(Cl)c2F)CCC1.
What is the InChIKey of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine?
The InChIKey is ONGDAXXRZJNTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClFN2O/c1-19-13(5-2-6-13)7-10(18-17)8-3-4-9(14)11(15)12(8)16/h3-4,10,18H,2,5-7,17H2,1H3.
What are the key properties of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine?
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine has a molecular weight of 351.65 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine is sourced from PubChem (CID 106765549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).