1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride

C7H9ClF3NS — CID 53407259

IUPAC1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride
SMILESCl.NC(Cc1ccsc1)C(F)(F)F
InChIInChI=1S/C7H8F3NS.ClH/c8-7(9,10)6(11)3-5-1-2-12-4-5;/h1-2,4,6H,3,11H2;1H
InChIKeyJHLAMNYMQIPBSI-UHFFFAOYSA-N
MW231.67 g/mol
LogP2.60
Rot. Bonds2

About 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride

1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride (PubChem CID 53407259) has the molecular formula C7H9ClF3NS and a molecular weight of 231.67 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride
PubChem CID53407259
Molecular FormulaC7H9ClF3NS
Molecular Weight231.67 g/mol
Exact Mass231.01
IUPAC Name1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride
SMILESCl.NC(Cc1ccsc1)C(F)(F)F
InChIInChI=1S/C7H8F3NS.ClH/c8-7(9,10)6(11)3-5-1-2-12-4-5;/h1-2,4,6H,3,11H2;1H
InChIKeyJHLAMNYMQIPBSI-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride?
The IUPAC name of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride (CID 53407259) is 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride?
The canonical SMILES for 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride is Cl.NC(Cc1ccsc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride?
The InChIKey is JHLAMNYMQIPBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS.ClH/c8-7(9,10)6(11)3-5-1-2-12-4-5;/h1-2,4,6H,3,11H2;1H.
What are the key properties of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride?
1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride has a molecular weight of 231.67 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine;hydrochloride is sourced from PubChem (CID 53407259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).