[(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate

C20H14F5NO2 — CID 100923233

About [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate

[(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate (PubChem CID 100923233) has the molecular formula C20H14F5NO2 and a molecular weight of 395.33 g/mol. Its IUPAC name is [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate.

Molecular Properties

• Compound Name: [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate
• PubChem CID: 100923233
• Molecular Formula: C20H14F5NO2
• Molecular Weight: 395.33 g/mol
• Exact Mass: 395.09
• IUPAC Name: [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate
• SMILES: C=CCC1CCc2ccccc2/C1=N\OC(=O)c1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C20H14F5NO2/c1-2-5-11-9-8-10-6-3-4-7-12(10)19(11)26-28-20(27)13-14(21)16(23)18(25)17(24)15(13)22/h2-4,6-7,11H,1,5,8-9H2/b26-19-
• InChIKey: FAOCBVGECCBURB-XHPQRKPJSA-N
• XLogP: 5.08
• TPSA: 38.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.33
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate?

The IUPAC name of [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate (CID 100923233) is [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate.

What is the SMILES notation for [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate?

The canonical SMILES for [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate is C=CCC1CCc2ccccc2/C1=N\OC(=O)c1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate?

The InChIKey is FAOCBVGECCBURB-XHPQRKPJSA-N. The full InChI is InChI=1S/C20H14F5NO2/c1-2-5-11-9-8-10-6-3-4-7-12(10)19(11)26-28-20(27)13-14(21)16(23)18(25)17(24)15(13)22/h2-4,6-7,11H,1,5,8-9H2/b26-19-.

What are the key properties of [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate?

[(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate has a molecular weight of 395.33 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2,3,4,5,6-pentafluorobenzoate is sourced from PubChem (CID 100923233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).