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

C12H17BrClFN2 — CID 106765455

IUPAC[1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine
SMILESCCC(CC)C(NN)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H17BrClFN2/c1-3-7(4-2)12(17-16)8-5-6-9(13)10(14)11(8)15/h5-7,12,17H,3-4,16H2,1-2H3
InChIKeyUCASINMMMMQQOG-UHFFFAOYSA-N
MW323.64 g/mol
LogP4.18
Rot. Bonds5

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

[1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine (PubChem CID 106765455) has the molecular formula C12H17BrClFN2 and a molecular weight of 323.64 g/mol. Its IUPAC name is [1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine
PubChem CID106765455
Molecular FormulaC12H17BrClFN2
Molecular Weight323.64 g/mol
Exact Mass322.02
IUPAC Name[1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine
SMILESCCC(CC)C(NN)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H17BrClFN2/c1-3-7(4-2)12(17-16)8-5-6-9(13)10(14)11(8)15/h5-7,12,17H,3-4,16H2,1-2H3
InChIKeyUCASINMMMMQQOG-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.64
LogP ≤ 54.18
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-bromo-3-chloro-2-fluorophenyl)-2,2-dimethoxyethyl]hydrazine
CID 106765325
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine
CID 106762503
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 106765272
[(4-bromo-3-chloro-2-fluorophenyl)-(2-ethylphenyl)methyl]hydrazine
CID 106765526
1-(4-bromo-3-chloro-2-fluorophenyl)-2,2-diethoxy-N-ethylethanamine
CID 106762753
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 106765612
1-(4-bromo-3-chloro-2-fluorophenyl)-N,2,3-trimethylbutan-1-amine
CID 106764622
1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol
CID 106761382
[(4-bromo-3-chloro-2-fluorophenyl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106765512
[(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106765432
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]hydrazine
CID 106765528
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 106765191

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine (CID 106765455) is [1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine is CCC(CC)C(NN)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine?
The InChIKey is UCASINMMMMQQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClFN2/c1-3-7(4-2)12(17-16)8-5-6-9(13)10(14)11(8)15/h5-7,12,17H,3-4,16H2,1-2H3.
What are the key properties of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine?
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine has a molecular weight of 323.64 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine is sourced from PubChem (CID 106765455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).