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

C15H14ClFN2 — CID 105397832

IUPAC[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine
SMILESNNC(c1cc(F)ccc1Cl)C1Cc2ccccc21
InChIInChI=1S/C15H14ClFN2/c16-14-6-5-10(17)8-13(14)15(19-18)12-7-9-3-1-2-4-11(9)12/h1-6,8,12,15,19H,7,18H2
InChIKeyKIPWWWBCAVEDPN-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.32
Rot. Bonds3

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

[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine (PubChem CID 105397832) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine
PubChem CID105397832
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine
SMILESNNC(c1cc(F)ccc1Cl)C1Cc2ccccc21
InChIInChI=1S/C15H14ClFN2/c16-14-6-5-10(17)8-13(14)15(19-18)12-7-9-3-1-2-4-11(9)12/h1-6,8,12,15,19H,7,18H2
InChIKeyKIPWWWBCAVEDPN-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.32
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

[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105224652
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105224610
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 64984059
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methyl]hydrazine
CID 105224671
[(5-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 105218802
[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]hydrazine
CID 105397863
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105224798
7-[chloro-(2,4-difluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66395575
3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine
CID 105224736
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842792
[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105397846
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 66394751

Frequently Asked Questions

What is the IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine?
The IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine (CID 105397832) is [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine is NNC(c1cc(F)ccc1Cl)C1Cc2ccccc21.
What is the InChIKey of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine?
The InChIKey is KIPWWWBCAVEDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2/c16-14-6-5-10(17)8-13(14)15(19-18)12-7-9-3-1-2-4-11(9)12/h1-6,8,12,15,19H,7,18H2.
What are the key properties of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine?
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine has a molecular weight of 276.74 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105397832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).