[(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate

C18H10F5NO2 — CID 135053268

IUPAC[(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate
SMILESC=C/C=C/C(=N/OC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C18H10F5NO2/c1-2-3-9-11(10-7-5-4-6-8-10)24-26-18(25)12-13(19)15(21)17(23)16(22)14(12)20/h2-9H,1H2/b9-3+,24-11-
InChIKeySVUAMVCWIXSOOO-LJWQXEGUSA-N
MW367.27 g/mol
LogP4.69
Rot. Bonds5

About [(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate

[(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate (PubChem CID 135053268) has the molecular formula C18H10F5NO2 and a molecular weight of 367.27 g/mol. Its IUPAC name is [(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate.

Molecular Properties

Compound Name[(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate
PubChem CID135053268
Molecular FormulaC18H10F5NO2
Molecular Weight367.27 g/mol
Exact Mass367.06
IUPAC Name[(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate
SMILESC=C/C=C/C(=N/OC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C18H10F5NO2/c1-2-3-9-11(10-7-5-4-6-8-10)24-26-18(25)12-13(19)15(21)17(23)16(22)14(12)20/h2-9H,1H2/b9-3+,24-11-
InChIKeySVUAMVCWIXSOOO-LJWQXEGUSA-N
XLogP4.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate?
The IUPAC name of [(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate (CID 135053268) is [(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate.
What is the SMILES notation for [(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate?
The canonical SMILES for [(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate is C=C/C=C/C(=N/OC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.
What is the InChIKey of [(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate?
The InChIKey is SVUAMVCWIXSOOO-LJWQXEGUSA-N. The full InChI is InChI=1S/C18H10F5NO2/c1-2-3-9-11(10-7-5-4-6-8-10)24-26-18(25)12-13(19)15(21)17(23)16(22)14(12)20/h2-9H,1H2/b9-3+,24-11-.
What are the key properties of [(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate?
[(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate has a molecular weight of 367.27 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2E)-1-phenylpenta-2,4-dienylidene]amino] 2,3,4,5,6-pentafluorobenzoate is sourced from PubChem (CID 135053268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).