2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline

C11H6F4N2S — CID 6260448

IUPAC2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline
SMILESFc1cc(F)c(F)c(N/N=C\c2cccs2)c1F
InChIInChI=1S/C11H6F4N2S/c12-7-4-8(13)10(15)11(9(7)14)17-16-5-6-2-1-3-18-6/h1-5,17H/b16-5-
InChIKeyJAJCXQCQUWODEG-BNCCVWRVSA-N
MW274.24 g/mol
LogP3.75
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline

2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline (PubChem CID 6260448) has the molecular formula C11H6F4N2S and a molecular weight of 274.24 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline
PubChem CID6260448
Molecular FormulaC11H6F4N2S
Molecular Weight274.24 g/mol
Exact Mass274.02
IUPAC Name2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline
SMILESFc1cc(F)c(F)c(N/N=C\c2cccs2)c1F
InChIInChI=1S/C11H6F4N2S/c12-7-4-8(13)10(15)11(9(7)14)17-16-5-6-2-1-3-18-6/h1-5,17H/b16-5-
InChIKeyJAJCXQCQUWODEG-BNCCVWRVSA-N
XLogP3.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_B(4)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline (CID 6260448) is 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline is Fc1cc(F)c(F)c(N/N=C\c2cccs2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline?
The InChIKey is JAJCXQCQUWODEG-BNCCVWRVSA-N. The full InChI is InChI=1S/C11H6F4N2S/c12-7-4-8(13)10(15)11(9(7)14)17-16-5-6-2-1-3-18-6/h1-5,17H/b16-5-.
What are the key properties of 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline?
2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline has a molecular weight of 274.24 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline is sourced from PubChem (CID 6260448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).