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

C16H14F4N2O3 — CID 3458864

IUPAC2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
SMILESCOc1cc(OC)c(OC)cc1C=NNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C16H14F4N2O3/c1-23-11-6-13(25-3)12(24-2)4-8(11)7-21-22-16-14(19)9(17)5-10(18)15(16)20/h4-7,22H,1-3H3
InChIKeyJBRQMCOLOMBONS-UHFFFAOYSA-N
MW358.29 g/mol
LogP3.71
Rot. Bonds6

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

2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline (PubChem CID 3458864) has the molecular formula C16H14F4N2O3 and a molecular weight of 358.29 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
PubChem CID3458864
Molecular FormulaC16H14F4N2O3
Molecular Weight358.29 g/mol
Exact Mass358.09
IUPAC Name2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
SMILESCOc1cc(OC)c(OC)cc1C=NNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C16H14F4N2O3/c1-23-11-6-13(25-3)12(24-2)4-8(11)7-21-22-16-14(19)9(17)5-10(18)15(16)20/h4-7,22H,1-3H3
InChIKeyJBRQMCOLOMBONS-UHFFFAOYSA-N
XLogP3.71
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 4113252
2,3,5,6-tetrafluoro-N-[(Z)-(2-fluorophenyl)methylideneamino]aniline
CID 6013048
2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 9466478
4-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170458
2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 6291151
methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate
CID 3659610
[(2-fluoro-4,5-dimethoxyphenyl)methylideneamino]thiourea
CID 168534705
[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 7575205
2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840063
(E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine
CID 91937675
2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 9466515
3-[(2E)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136733711

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline (CID 3458864) is 2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline is COc1cc(OC)c(OC)cc1C=NNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline?
The InChIKey is JBRQMCOLOMBONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O3/c1-23-11-6-13(25-3)12(24-2)4-8(11)7-21-22-16-14(19)9(17)5-10(18)15(16)20/h4-7,22H,1-3H3.
What are the key properties of 2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline?
2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline has a molecular weight of 358.29 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 3458864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).