1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine

C8H9ClF3NS — CID 43491992

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C8H9ClF3NS/c1-2-13-7(8(10,11)12)5-3-4-6(9)14-5/h3-4,7,13H,2H2,1H3
InChIKeyNIGNFWLWRXFNEU-UHFFFAOYSA-N
MW243.68 g/mol
LogP3.61
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine

1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 43491992) has the molecular formula C8H9ClF3NS and a molecular weight of 243.68 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID43491992
Molecular FormulaC8H9ClF3NS
Molecular Weight243.68 g/mol
Exact Mass243.01
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C8H9ClF3NS/c1-2-13-7(8(10,11)12)5-3-4-6(9)14-5/h3-4,7,13H,2H2,1H3
InChIKeyNIGNFWLWRXFNEU-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.68
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine (CID 43491992) is 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine is CCNC(c1ccc(Cl)s1)C(F)(F)F.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is NIGNFWLWRXFNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NS/c1-2-13-7(8(10,11)12)5-3-4-6(9)14-5/h3-4,7,13H,2H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 243.68 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43491992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).