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

C8H8F3NS — CID 155389388

IUPAC2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
SMILESNc1c(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
InChIKeyIPYWFXBSZIYXDI-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.84
Rot. Bonds

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

2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine (PubChem CID 155389388) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
PubChem CID155389388
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
SMILESNc1c(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
InChIKeyIPYWFXBSZIYXDI-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
The IUPAC name of 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine (CID 155389388) is 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine.
What is the SMILES notation for 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
The canonical SMILES for 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine is Nc1c(C(F)(F)F)sc2c1CCC2.
What is the InChIKey of 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
The InChIKey is IPYWFXBSZIYXDI-UHFFFAOYSA-N. 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.
What are the key properties of 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine has a molecular weight of 207.22 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine is sourced from PubChem (CID 155389388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).