(1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine

C6H5ClF3NS — CID 28895428

IUPAC(1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C6H5ClF3NS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2,5H,11H2/t5-/m1/s1
InChIKeyDKIOITRIRRDHNZ-RXMQYKEDSA-N
MW215.63 g/mol
LogP2.96
Rot. Bonds1

About (1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine

(1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine (PubChem CID 28895428) has the molecular formula C6H5ClF3NS and a molecular weight of 215.63 g/mol. Its IUPAC name is (1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine
PubChem CID28895428
Molecular FormulaC6H5ClF3NS
Molecular Weight215.63 g/mol
Exact Mass214.98
IUPAC Name(1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C6H5ClF3NS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2,5H,11H2/t5-/m1/s1
InChIKeyDKIOITRIRRDHNZ-RXMQYKEDSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.63
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine (CID 28895428) is (1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine is N[C@H](c1ccc(Cl)s1)C(F)(F)F.
What is the InChIKey of (1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine?
The InChIKey is DKIOITRIRRDHNZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H5ClF3NS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2,5H,11H2/t5-/m1/s1.
What are the key properties of (1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine?
(1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine has a molecular weight of 215.63 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 28895428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).