1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine

C11H16F3NOS — CID 66276843

IUPAC1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
SMILESCC(NCCOC(C)C(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3NOS/c1-8(10-4-3-7-17-10)15-5-6-16-9(2)11(12,13)14/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyFFSBKYZUTZECHO-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.37
Rot. Bonds6

About 1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine

1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine (PubChem CID 66276843) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
PubChem CID66276843
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
SMILESCC(NCCOC(C)C(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3NOS/c1-8(10-4-3-7-17-10)15-5-6-16-9(2)11(12,13)14/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyFFSBKYZUTZECHO-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710733
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778
2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
CID 28727459
(1S)-1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891288
N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 63504424
N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 60693945
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
CID 104562673
3,3-diethoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81407847

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine?
The IUPAC name of 1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine (CID 66276843) is 1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine.
What is the SMILES notation for 1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine?
The canonical SMILES for 1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine is CC(NCCOC(C)C(F)(F)F)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine?
The InChIKey is FFSBKYZUTZECHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-8(10-4-3-7-17-10)15-5-6-16-9(2)11(12,13)14/h3-4,7-9,15H,5-6H2,1-2H3.
What are the key properties of 1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine?
1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine has a molecular weight of 267.32 g/mol, XLogP of 3.37, 6 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-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine is sourced from PubChem (CID 66276843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).