1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine

C11H16F3NOS — CID 55170213

IUPAC1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
SMILESCC(Cc1cccs1)NCCOCC(F)(F)F
InChIInChI=1S/C11H16F3NOS/c1-9(7-10-3-2-6-17-10)15-4-5-16-8-11(12,13)14/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyWSNMXBGROCMBMU-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.85
Rot. Bonds7

About 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine

1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine (PubChem CID 55170213) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
PubChem CID55170213
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
SMILESCC(Cc1cccs1)NCCOCC(F)(F)F
InChIInChI=1S/C11H16F3NOS/c1-9(7-10-3-2-6-17-10)15-4-5-16-8-11(12,13)14/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyWSNMXBGROCMBMU-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The IUPAC name of 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine (CID 55170213) is 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine is CC(Cc1cccs1)NCCOCC(F)(F)F.
What is the InChIKey of 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The InChIKey is WSNMXBGROCMBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-9(7-10-3-2-6-17-10)15-4-5-16-8-11(12,13)14/h2-3,6,9,15H,4-5,7-8H2,1H3.
What are the key properties of 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine has a molecular weight of 267.32 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 55170213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).