2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline

C16H13F5N2O3 — CID 9466478

IUPAC2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c(OC)c1OC
InChIInChI=1S/C16H13F5N2O3/c1-24-8-5-4-7(15(25-2)16(8)26-3)6-22-23-14-12(20)10(18)9(17)11(19)13(14)21/h4-6,23H,1-3H3/b22-6-
InChIKeyBQRMOUXZNICHFP-HCDFXORVSA-N
MW376.28 g/mol
LogP3.85
Rot. Bonds6

About 2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline

2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline (PubChem CID 9466478) has the molecular formula C16H13F5N2O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline
PubChem CID9466478
Molecular FormulaC16H13F5N2O3
Molecular Weight376.28 g/mol
Exact Mass376.08
IUPAC Name2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c(OC)c1OC
InChIInChI=1S/C16H13F5N2O3/c1-24-8-5-4-7(15(25-2)16(8)26-3)6-22-23-14-12(20)10(18)9(17)11(19)13(14)21/h4-6,23H,1-3H3/b22-6-
InChIKeyBQRMOUXZNICHFP-HCDFXORVSA-N
XLogP3.85
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine
CID 45481473
N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6146230
2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 9466515
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
4-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168616831
1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 71343645
2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 3458864
1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine
CID 3287826
3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6143287
4,6-dipyrrolidin-1-yl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine
CID 4003031
3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7066821

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline (CID 9466478) is 2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline is COc1ccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c(OC)c1OC.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline?
The InChIKey is BQRMOUXZNICHFP-HCDFXORVSA-N. The full InChI is InChI=1S/C16H13F5N2O3/c1-24-8-5-4-7(15(25-2)16(8)26-3)6-22-23-14-12(20)10(18)9(17)11(19)13(14)21/h4-6,23H,1-3H3/b22-6-.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline?
2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline has a molecular weight of 376.28 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 9466478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).