1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine

C8H10F3NOS — CID 103215455

IUPAC1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1ccsc1
InChIInChI=1S/C8H10F3NOS/c9-8(10,11)5-13-3-7(12)6-1-2-14-4-6/h1-2,4,7H,3,5,12H2
InChIKeyGZPPDYMKARDTHB-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.33
Rot. Bonds4

About 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine

1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215455) has the molecular formula C8H10F3NOS and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215455
Molecular FormulaC8H10F3NOS
Molecular Weight225.24 g/mol
Exact Mass225.04
IUPAC Name1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1ccsc1
InChIInChI=1S/C8H10F3NOS/c9-8(10,11)5-13-3-7(12)6-1-2-14-4-6/h1-2,4,7H,3,5,12H2
InChIKeyGZPPDYMKARDTHB-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215455) is 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)c1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is GZPPDYMKARDTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c9-8(10,11)5-13-3-7(12)6-1-2-14-4-6/h1-2,4,7H,3,5,12H2.
What are the key properties of 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 225.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).