[2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine

C13H18BrFN2 — CID 107005620

IUPAC[2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
SMILESCC1(C)CC1C(Cc1ccc(F)cc1Br)NN
InChIInChI=1S/C13H18BrFN2/c1-13(2)7-10(13)12(17-16)5-8-3-4-9(15)6-11(8)14/h3-4,6,10,12,17H,5,7,16H2,1-2H3
InChIKeyPGDQPYZFIRBHJK-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.01
Rot. Bonds4

About [2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine

[2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine (PubChem CID 107005620) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
PubChem CID107005620
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name[2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
SMILESCC1(C)CC1C(Cc1ccc(F)cc1Br)NN
InChIInChI=1S/C13H18BrFN2/c1-13(2)7-10(13)12(17-16)5-8-3-4-9(15)6-11(8)14/h3-4,6,10,12,17H,5,7,16H2,1-2H3
InChIKeyPGDQPYZFIRBHJK-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004316
[2-(2-bromo-4-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253344
[2-(2-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233141
[2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105296758
[2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233480
[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202997
2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107188309
[1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105296590
[1-(2-bromo-4-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105296748
[2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105276277
[2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105194059
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine (CID 107005620) is [2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine is CC1(C)CC1C(Cc1ccc(F)cc1Br)NN.
What is the InChIKey of [2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine?
The InChIKey is PGDQPYZFIRBHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-13(2)7-10(13)12(17-16)5-8-3-4-9(15)6-11(8)14/h3-4,6,10,12,17H,5,7,16H2,1-2H3.
What are the key properties of [2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine?
[2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine has a molecular weight of 301.20 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine is sourced from PubChem (CID 107005620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).