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

C12H18F3NOS — CID 60912573

IUPAC2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCC(C)C(NCCOCC(F)(F)F)c1cccs1
InChIInChI=1S/C12H18F3NOS/c1-9(2)11(10-4-3-7-18-10)16-5-6-17-8-12(13,14)15/h3-4,7,9,11,16H,5-6,8H2,1-2H3
InChIKeyKROIXVOWBWPAPI-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.61
Rot. Bonds7

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

2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 60912573) has the molecular formula C12H18F3NOS and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID60912573
Molecular FormulaC12H18F3NOS
Molecular Weight281.34 g/mol
Exact Mass281.11
IUPAC Name2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCC(C)C(NCCOCC(F)(F)F)c1cccs1
InChIInChI=1S/C12H18F3NOS/c1-9(2)11(10-4-3-7-18-10)16-5-6-17-8-12(13,14)15/h3-4,7,9,11,16H,5-6,8H2,1-2H3
InChIKeyKROIXVOWBWPAPI-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.61
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 2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 60912573) is 2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CC(C)C(NCCOCC(F)(F)F)c1cccs1.
What is the InChIKey of 2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is KROIXVOWBWPAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NOS/c1-9(2)11(10-4-3-7-18-10)16-5-6-17-8-12(13,14)15/h3-4,7,9,11,16H,5-6,8H2,1-2H3.
What are the key properties of 2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 281.34 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 60912573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).