[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine

C12H15F3N2 — CID 105224607

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1Cc2ccccc21
InChIInChI=1S/C12H15F3N2/c13-12(14,15)6-5-11(17-16)10-7-8-3-1-2-4-9(8)10/h1-4,10-11,17H,5-7,16H2
InChIKeyNBEJZZLNQSPBIZ-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.50
Rot. Bonds4

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105224607) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105224607
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1Cc2ccccc21
InChIInChI=1S/C12H15F3N2/c13-12(14,15)6-5-11(17-16)10-7-8-3-1-2-4-9(8)10/h1-4,10-11,17H,5-7,16H2
InChIKeyNBEJZZLNQSPBIZ-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.50
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-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105262588
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine
CID 105224756
1,2-bis(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylhydrazine
CID 105224824
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105224774
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-ethoxyethyl]hydrazine
CID 105224705
[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-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105224610
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105224757
[1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105328932
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105224818
4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-hydrazinylethyl]pyridin-2-amine
CID 105224735
[1-(2,3-dihydro-1-benzothiophen-3-yl)-4,4-dimethylpentyl]hydrazine
CID 105300003

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine (CID 105224607) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine is NNC(CCC(F)(F)F)C1Cc2ccccc21.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is NBEJZZLNQSPBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)6-5-11(17-16)10-7-8-3-1-2-4-9(8)10/h1-4,10-11,17H,5-7,16H2.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 244.26 g/mol, XLogP of 2.50, 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)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105224607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).