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

C8H9F3NS+ — CID 167407489

IUPAC[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium
SMILES[NH3+]c1c(C(F)(F)F)sc2c1CCC2
InChIInChI=1S/C8H8F3NS/c9-8(10,11)7-6(12)4-2-1-3-5(4)13-7/h1-3,12H2/p+1
InChIKeyIPYWFXBSZIYXDI-UHFFFAOYSA-O
MW208.23 g/mol
LogP2.13
Rot. Bonds

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

[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium (PubChem CID 167407489) has the molecular formula C8H9F3NS+ and a molecular weight of 208.23 g/mol. Its IUPAC name is [2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium.

Molecular Properties

Compound Name[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium
PubChem CID167407489
Molecular FormulaC8H9F3NS+
Molecular Weight208.23 g/mol
Exact Mass208.04
IUPAC Name[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium
SMILES[NH3+]c1c(C(F)(F)F)sc2c1CCC2
InChIInChI=1S/C8H8F3NS/c9-8(10,11)7-6(12)4-2-1-3-5(4)13-7/h1-3,12H2/p+1
InChIKeyIPYWFXBSZIYXDI-UHFFFAOYSA-O
XLogP2.13
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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
N'-[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]methanediimine
CID 167407425
3-isocyano-2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 58011204
2-Ethyl-4,5-dimethylthiophen-3-amine
CID 71412408
5-Ethyl-2,4-dimethylthiophen-3-amine
CID 153748704
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
2,5-Diisopropyl-4-methylthiophen-3-amine hydrochloride
CID 155389075
2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
CID 155389140
2-Isopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine hydrochloride
CID 155389265

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium?
The IUPAC name of [2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium (CID 167407489) is [2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium.
What is the SMILES notation for [2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium?
The canonical SMILES for [2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium is [NH3+]c1c(C(F)(F)F)sc2c1CCC2.
What is the InChIKey of [2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium?
The InChIKey is IPYWFXBSZIYXDI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8F3NS/c9-8(10,11)7-6(12)4-2-1-3-5(4)13-7/h1-3,12H2/p+1.
What are the key properties of [2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium?
[2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium has a molecular weight of 208.23 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl]azanium is sourced from PubChem (CID 167407489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).