2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline

C12H5F7N2S — CID 5335514

IUPAC2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C\c1cccs1
InChIInChI=1S/C12H5F7N2S/c13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-20-4-5-2-1-3-22-5/h1-4,21H/b20-4-
InChIKeyPUWBYRYCTCLZNB-YQLNASGTSA-N
MW342.24 g/mol
LogP4.77
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline

2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline (PubChem CID 5335514) has the molecular formula C12H5F7N2S and a molecular weight of 342.24 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline
PubChem CID5335514
Molecular FormulaC12H5F7N2S
Molecular Weight342.24 g/mol
Exact Mass342.01
IUPAC Name2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C\c1cccs1
InChIInChI=1S/C12H5F7N2S/c13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-20-4-5-2-1-3-22-5/h1-4,21H/b20-4-
InChIKeyPUWBYRYCTCLZNB-YQLNASGTSA-N
XLogP4.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.77
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'}

Analyze 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]aniline
CID 9650308
2,4-difluoro-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]aniline
CID 9646131
3-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]aniline
CID 9653067
N-[(E)-2-Thienylmethylidene]-4-(trifluoromethyl)aniline
CID 2351311
N-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]-3-(trifluoromethyl)aniline
CID 2740445
2,6-dichloro-N-(thiophen-2-ylmethylideneamino)-4-(trifluoromethyl)aniline
CID 2740495
CID 2856530
CID 2856530
2,4-difluoro-N-[(5-methylthiophen-2-yl)methylideneamino]aniline
CID 4086372
2,4-difluoro-N-[(3-methylthiophen-2-yl)methylideneamino]aniline
CID 4159773
N-[(Z)-1-thiophen-2-ylethylideneamino]-2-(trifluoromethyl)aniline
CID 9069152
N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]-3-(trifluoromethyl)aniline
CID 9580580
2,6-dichloro-N-[(E)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline
CID 9580584

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline (CID 5335514) is 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline is Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C\c1cccs1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline?
The InChIKey is PUWBYRYCTCLZNB-YQLNASGTSA-N. The full InChI is InChI=1S/C12H5F7N2S/c13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-20-4-5-2-1-3-22-5/h1-4,21H/b20-4-.
What are the key properties of 2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline?
2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline has a molecular weight of 342.24 g/mol, XLogP of 4.77, 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]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 5335514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).