2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C9H12F3NOS — CID 66276059

IUPAC2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OC(CN)c1ccsc1)C(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-6(9(10,11)12)14-8(4-13)7-2-3-15-5-7/h2-3,5-6,8H,4,13H2,1H3
InChIKeyZAPOZHMUHDOARB-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.72
Rot. Bonds4

About 2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 66276059) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID66276059
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OC(CN)c1ccsc1)C(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-6(9(10,11)12)14-8(4-13)7-2-3-15-5-7/h2-3,5-6,8H,4,13H2,1H3
InChIKeyZAPOZHMUHDOARB-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 66276059) is 2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CC(OC(CN)c1ccsc1)C(F)(F)F.
What is the InChIKey of 2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is ZAPOZHMUHDOARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-6(9(10,11)12)14-8(4-13)7-2-3-15-5-7/h2-3,5-6,8H,4,13H2,1H3.
What are the key properties of 2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 239.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 66276059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).