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

C16H24BrFN2 — CID 105232962

IUPAC[2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine
SMILESCCC1CCCC(C(Cc2cc(F)ccc2Br)NN)C1
InChIInChI=1S/C16H24BrFN2/c1-2-11-4-3-5-12(8-11)16(20-19)10-13-9-14(18)6-7-15(13)17/h6-7,9,11-12,16,20H,2-5,8,10,19H2,1H3
InChIKeyYEIOLCNVFNVWAP-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.18
Rot. Bonds5

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

[2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine (PubChem CID 105232962) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is [2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine
PubChem CID105232962
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name[2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine
SMILESCCC1CCCC(C(Cc2cc(F)ccc2Br)NN)C1
InChIInChI=1S/C16H24BrFN2/c1-2-11-4-3-5-12(8-11)16(20-19)10-13-9-14(18)6-7-15(13)17/h6-7,9,11-12,16,20H,2-5,8,10,19H2,1H3
InChIKeyYEIOLCNVFNVWAP-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.18
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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Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine (CID 105232962) is [2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine is CCC1CCCC(C(Cc2cc(F)ccc2Br)NN)C1.
What is the InChIKey of [2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine?
The InChIKey is YEIOLCNVFNVWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-2-11-4-3-5-12(8-11)16(20-19)10-13-9-14(18)6-7-15(13)17/h6-7,9,11-12,16,20H,2-5,8,10,19H2,1H3.
What are the key properties of [2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine?
[2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine has a molecular weight of 343.28 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 [2-(2-bromo-5-fluorophenyl)-1-(3-ethylcyclohexyl)ethyl]hydrazine is sourced from PubChem (CID 105232962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).