1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine

C11H16F3NOS — CID 54962068

IUPAC1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
SMILESCC(Cc1ccsc1)NCCOCC(F)(F)F
InChIInChI=1S/C11H16F3NOS/c1-9(6-10-2-5-17-7-10)15-3-4-16-8-11(12,13)14/h2,5,7,9,15H,3-4,6,8H2,1H3
InChIKeyWSGQOXKBFNGKMI-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.85
Rot. Bonds7

About 1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine

1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine (PubChem CID 54962068) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
PubChem CID54962068
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
SMILESCC(Cc1ccsc1)NCCOCC(F)(F)F
InChIInChI=1S/C11H16F3NOS/c1-9(6-10-2-5-17-7-10)15-3-4-16-8-11(12,13)14/h2,5,7,9,15H,3-4,6,8H2,1H3
InChIKeyWSGQOXKBFNGKMI-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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Related Compounds

N-(1-methoxypropan-2-yl)-2-thiophen-2-ylpropan-1-amine
CID 75495456
N-propan-2-yl-1-thiophen-3-ylpropan-2-amine
CID 61473291
1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 61474164
2,2,2aTrifluoroaNa[1a(thiophena3ayl)propana2ayl]acetamide
CID 62726736
N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961662
1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54961663
N-methyl-1-thiophen-3-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095688
1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 55151711
1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 55170213
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55259529
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733682
2-methyl-1-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 60912573

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The IUPAC name of 1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine (CID 54962068) is 1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine is CC(Cc1ccsc1)NCCOCC(F)(F)F.
What is the InChIKey of 1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The InChIKey is WSGQOXKBFNGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-9(6-10-2-5-17-7-10)15-3-4-16-8-11(12,13)14/h2,5,7,9,15H,3-4,6,8H2,1H3.
What are the key properties of 1-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
1-thiophen-3-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-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 54962068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).