[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C14H19F3N2O — CID 103151630

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)(F)F)CC1Cc2ccccc21
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)9-20-6-5-12(19-18)8-11-7-10-3-1-2-4-13(10)11/h1-4,11-12,19H,5-9,18H2
InChIKeyYNWMRIJXDCANQM-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.52
Rot. Bonds7

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103151630) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID103151630
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)(F)F)CC1Cc2ccccc21
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)9-20-6-5-12(19-18)8-11-7-10-3-1-2-4-13(10)11/h1-4,11-12,19H,5-9,18H2
InChIKeyYNWMRIJXDCANQM-UHFFFAOYSA-N
XLogP2.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 103151630) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is NNC(CCOCC(F)(F)F)CC1Cc2ccccc21.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is YNWMRIJXDCANQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)9-20-6-5-12(19-18)8-11-7-10-3-1-2-4-13(10)11/h1-4,11-12,19H,5-9,18H2.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 288.31 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103151630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).