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

C9H12F3NOS — CID 103207473

IUPAC1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1ccsc1C(N)COCC(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-6-2-3-15-8(6)7(13)4-14-5-9(10,11)12/h2-3,7H,4-5,13H2,1H3
InChIKeyQQSWWLCEGUZLAI-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.64
Rot. Bonds4

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

1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207473) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207473
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1ccsc1C(N)COCC(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-6-2-3-15-8(6)7(13)4-14-5-9(10,11)12/h2-3,7H,4-5,13H2,1H3
InChIKeyQQSWWLCEGUZLAI-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207473) is 1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is Cc1ccsc1C(N)COCC(F)(F)F.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is QQSWWLCEGUZLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-6-2-3-15-8(6)7(13)4-14-5-9(10,11)12/h2-3,7H,4-5,13H2,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 239.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).