[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine

C16H16ClFN2 — CID 105224610

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)cc1Cl)C1Cc2ccccc21
InChIInChI=1S/C16H16ClFN2/c17-15-9-12(18)6-5-11(15)8-16(20-19)14-7-10-3-1-2-4-13(10)14/h1-6,9,14,16,20H,7-8,19H2
InChIKeyVNNCLWGQZDBAFZ-UHFFFAOYSA-N
MW290.77 g/mol
LogP3.19
Rot. Bonds4

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine (PubChem CID 105224610) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
PubChem CID105224610
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)cc1Cl)C1Cc2ccccc21
InChIInChI=1S/C16H16ClFN2/c17-15-9-12(18)6-5-11(15)8-16(20-19)14-7-10-3-1-2-4-13(10)14/h1-6,9,14,16,20H,7-8,19H2
InChIKeyVNNCLWGQZDBAFZ-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 53.19
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

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105224818
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethyl]hydrazine
CID 105224772
[2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262591
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105397832
[2-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234368
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-bromo-4-fluorophenyl)-N-ethylethanamine
CID 64984556
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105224803
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105224757
[1-(2,3-dihydro-1H-inden-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105234257
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105224760
[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221490
[2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234516

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine (CID 105224610) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine is NNC(Cc1ccc(F)cc1Cl)C1Cc2ccccc21.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine?
The InChIKey is VNNCLWGQZDBAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c17-15-9-12(18)6-5-11(15)8-16(20-19)14-7-10-3-1-2-4-13(10)14/h1-6,9,14,16,20H,7-8,19H2.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine has a molecular weight of 290.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105224610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).