[2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine

C14H18BrF3N2 — CID 114216932

IUPAC[2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)ccc1F)C1CCCC(F)(F)C1
InChIInChI=1S/C14H18BrF3N2/c15-11-3-4-12(16)10(6-11)7-13(20-19)9-2-1-5-14(17,18)8-9/h3-4,6,9,13,20H,1-2,5,7-8,19H2
InChIKeyAVLZUVGWZWNCOA-UHFFFAOYSA-N
MW351.21 g/mol
LogP3.79
Rot. Bonds4

About [2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine

[2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine (PubChem CID 114216932) has the molecular formula C14H18BrF3N2 and a molecular weight of 351.21 g/mol. Its IUPAC name is [2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine
PubChem CID114216932
Molecular FormulaC14H18BrF3N2
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC Name[2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)ccc1F)C1CCCC(F)(F)C1
InChIInChI=1S/C14H18BrF3N2/c15-11-3-4-12(16)10(6-11)7-13(20-19)9-2-1-5-14(17,18)8-9/h3-4,6,9,13,20H,1-2,5,7-8,19H2
InChIKeyAVLZUVGWZWNCOA-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 53.79
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-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine
CID 105229943
[1-(3,3-difluorocyclohexyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 114216850
[2-(5-bromo-2-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233180
[2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258878
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65392217
2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
CID 55095635
[1-(3,3-difluorocyclopentyl)-2-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 114216956
[2-(5-bromo-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105294936
[2-(5-bromo-2-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253385
1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine
CID 114215925
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391044
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine (CID 114216932) is [2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine is NNC(Cc1cc(Br)ccc1F)C1CCCC(F)(F)C1.
What is the InChIKey of [2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine?
The InChIKey is AVLZUVGWZWNCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2/c15-11-3-4-12(16)10(6-11)7-13(20-19)9-2-1-5-14(17,18)8-9/h3-4,6,9,13,20H,1-2,5,7-8,19H2.
What are the key properties of [2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine?
[2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine has a molecular weight of 351.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-fluorophenyl)-1-(3,3-difluorocyclohexyl)ethyl]hydrazine is sourced from PubChem (CID 114216932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).