N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline

C15H11F5N2O2 — CID 3577892

IUPACN-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline
SMILESCOc1ccc(OC)c(C=NNc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C15H11F5N2O2/c1-23-8-3-4-9(24-2)7(5-8)6-21-22-15-13(19)11(17)10(16)12(18)14(15)20/h3-6,22H,1-2H3
InChIKeyQWCQLBQZZLVPQE-UHFFFAOYSA-N
MW346.26 g/mol
LogP3.85
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline

N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline (PubChem CID 3577892) has the molecular formula C15H11F5N2O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline
PubChem CID3577892
Molecular FormulaC15H11F5N2O2
Molecular Weight346.26 g/mol
Exact Mass346.07
IUPAC NameN-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline
SMILESCOc1ccc(OC)c(C=NNc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C15H11F5N2O2/c1-23-8-3-4-9(24-2)7(5-8)6-21-22-15-13(19)11(17)10(16)12(18)14(15)20/h3-6,22H,1-2H3
InChIKeyQWCQLBQZZLVPQE-UHFFFAOYSA-N
XLogP3.85
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline (CID 3577892) is N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline is COc1ccc(OC)c(C=NNc2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline?
The InChIKey is QWCQLBQZZLVPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5N2O2/c1-23-8-3-4-9(24-2)7(5-8)6-21-22-15-13(19)11(17)10(16)12(18)14(15)20/h3-6,22H,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline?
N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline has a molecular weight of 346.26 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 3577892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).