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

C13H7F5N2 — CID 4113252

IUPAC2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline
SMILESFc1ccccc1C=NNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H7F5N2/c14-8-4-2-1-3-7(8)6-19-20-13-11(17)9(15)5-10(16)12(13)18/h1-6,20H
InChIKeyLWEQDEGQKSNLJJ-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.83
Rot. Bonds3

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

2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline (PubChem CID 4113252) has the molecular formula C13H7F5N2 and a molecular weight of 286.20 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline
PubChem CID4113252
Molecular FormulaC13H7F5N2
Molecular Weight286.20 g/mol
Exact Mass286.05
IUPAC Name2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline
SMILESFc1ccccc1C=NNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H7F5N2/c14-8-4-2-1-3-7(8)6-19-20-13-11(17)9(15)5-10(16)12(13)18/h1-6,20H
InChIKeyLWEQDEGQKSNLJJ-UHFFFAOYSA-N
XLogP3.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-(2-fluorophenyl)methylideneamino]aniline
CID 6013048
2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 6291151
2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 136672918
N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline
CID 110504963
2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline
CID 6260448
2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 3753307
2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 3458864
N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine
CID 45481082
N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
CID 6040000
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 5333882
2,3,5,6-tetrafluoro-N-[(4-nitrophenyl)methylideneamino]aniline
CID 3888449

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline (CID 4113252) is 2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline is Fc1ccccc1C=NNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline?
The InChIKey is LWEQDEGQKSNLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5N2/c14-8-4-2-1-3-7(8)6-19-20-13-11(17)9(15)5-10(16)12(13)18/h1-6,20H.
What are the key properties of 2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline?
2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline has a molecular weight of 286.20 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 4113252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).