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

C8H9ClF3NS — CID 155389387

IUPAC2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride
SMILESCl.Nc1c(C(F)(F)F)sc2c1CCC2
InChIInChI=1S/C8H8F3NS.ClH/c9-8(10,11)7-6(12)4-2-1-3-5(4)13-7;/h1-3,12H2;1H
InChIKeyXZIGMEYRJGCKFT-UHFFFAOYSA-N
MW243.68 g/mol
LogP3.26
Rot. Bonds

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

2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride (PubChem CID 155389387) has the molecular formula C8H9ClF3NS and a molecular weight of 243.68 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride
PubChem CID155389387
Molecular FormulaC8H9ClF3NS
Molecular Weight243.68 g/mol
Exact Mass243.01
IUPAC Name2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride
SMILESCl.Nc1c(C(F)(F)F)sc2c1CCC2
InChIInChI=1S/C8H8F3NS.ClH/c9-8(10,11)7-6(12)4-2-1-3-5(4)13-7;/h1-3,12H2;1H
InChIKeyXZIGMEYRJGCKFT-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.68
LogP ≤ 53.26
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;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride (CID 155389387) is 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride is Cl.Nc1c(C(F)(F)F)sc2c1CCC2.
What is the InChIKey of 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride?
The InChIKey is XZIGMEYRJGCKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS.ClH/c9-8(10,11)7-6(12)4-2-1-3-5(4)13-7;/h1-3,12H2;1H.
What are the key properties of 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride?
2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride has a molecular weight of 243.68 g/mol, XLogP of 3.26, 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;hydrochloride is sourced from PubChem (CID 155389387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).