N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine

C9H7F3N2S — CID 167407425

IUPACN'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine
SMILESN=C=Nc1c(C(F)(F)F)sc2c1CCC2
InChIInChI=1S/C9H7F3N2S/c10-9(11,12)8-7(14-4-13)5-2-1-3-6(5)15-8/h13H,1-3H2
InChIKeyVJDPJFYVWWILIF-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.64
Rot. Bonds1

About N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine

N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine (PubChem CID 167407425) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine.

Molecular Properties

Compound NameN'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine
PubChem CID167407425
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC NameN'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine
SMILESN=C=Nc1c(C(F)(F)F)sc2c1CCC2
InChIInChI=1S/C9H7F3N2S/c10-9(11,12)8-7(14-4-13)5-2-1-3-6(5)15-8/h13H,1-3H2
InChIKeyVJDPJFYVWWILIF-UHFFFAOYSA-N
XLogP3.64
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine 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-(Trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine hydrochloride
CID 155389387
2-(Trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
CID 155389388
3-isocyanato-2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 155389598
[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium
CID 167407489
3-isocyano-2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 58011204
3-isocyanato-2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 155388872
2-Ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine hydrochloride
CID 155389072
2-Isopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
CID 155389266
2-Methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine hydrochloride
CID 155389352
2-ethyl-3-isocyanato-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 155389531
(2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium
CID 167407409
(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)azanium
CID 167407458

Frequently Asked Questions

What is the IUPAC name of N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine?
The IUPAC name of N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine (CID 167407425) is N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine.
What is the SMILES notation for N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine?
The canonical SMILES for N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine is N=C=Nc1c(C(F)(F)F)sc2c1CCC2.
What is the InChIKey of N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine?
The InChIKey is VJDPJFYVWWILIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c10-9(11,12)8-7(14-4-13)5-2-1-3-6(5)15-8/h13H,1-3H2.
What are the key properties of N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine?
N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine has a molecular weight of 232.23 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine is sourced from PubChem (CID 167407425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).