N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine

C9H12F3NS — CID 43488114

IUPACN-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(c1ccc(C)s1)C(F)(F)F
InChIInChI=1S/C9H12F3NS/c1-3-13-8(9(10,11)12)7-5-4-6(2)14-7/h4-5,8,13H,3H2,1-2H3
InChIKeyJYQXRCNITJUOFO-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.27
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine

N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 43488114) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID43488114
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC NameN-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(c1ccc(C)s1)C(F)(F)F
InChIInChI=1S/C9H12F3NS/c1-3-13-8(9(10,11)12)7-5-4-6(2)14-7/h4-5,8,13H,3H2,1-2H3
InChIKeyJYQXRCNITJUOFO-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine (CID 43488114) is N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine is CCNC(c1ccc(C)s1)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is JYQXRCNITJUOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-3-13-8(9(10,11)12)7-5-4-6(2)14-7/h4-5,8,13H,3H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine?
N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 223.26 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 43488114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).