[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine

C16H16BrFN2 — CID 105238729

IUPAC[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine
SMILESNNC(CC1Cc2ccccc21)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrFN2/c17-13-6-12(7-14(18)9-13)16(20-19)8-11-5-10-3-1-2-4-15(10)11/h1-4,6-7,9,11,16,20H,5,8,19H2
InChIKeyMCFPDIPNOWNLSQ-UHFFFAOYSA-N
MW335.22 g/mol
LogP3.82
Rot. Bonds4

About [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine (PubChem CID 105238729) has the molecular formula C16H16BrFN2 and a molecular weight of 335.22 g/mol. Its IUPAC name is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine
PubChem CID105238729
Molecular FormulaC16H16BrFN2
Molecular Weight335.22 g/mol
Exact Mass334.05
IUPAC Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine
SMILESNNC(CC1Cc2ccccc21)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrFN2/c17-13-6-12(7-14(18)9-13)16(20-19)8-11-5-10-3-1-2-4-15(10)11/h1-4,6-7,9,11,16,20H,5,8,19H2
InChIKeyMCFPDIPNOWNLSQ-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 53.82
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-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979238
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-difluorophenyl)-N-methylethanamine
CID 66418218
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105319368
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-hydrazinylethyl]-4-bromoaniline
CID 105263584
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105257179
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol
CID 107978498
4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105319277
[1-(4-fluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105192680
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105319371
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105319376
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203771
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-4-fluorophenyl)-N-methylethanamine
CID 82809564

Frequently Asked Questions

What is the IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine (CID 105238729) is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine is NNC(CC1Cc2ccccc21)c1cc(F)cc(Br)c1.
What is the InChIKey of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine?
The InChIKey is MCFPDIPNOWNLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2/c17-13-6-12(7-14(18)9-13)16(20-19)8-11-5-10-3-1-2-4-15(10)11/h1-4,6-7,9,11,16,20H,5,8,19H2.
What are the key properties of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine?
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine has a molecular weight of 335.22 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105238729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).