N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C11H16F3NOS — CID 55260047

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCc1ccc(CNCCOCC(F)(F)F)s1
InChIInChI=1S/C11H16F3NOS/c1-2-9-3-4-10(17-9)7-15-5-6-16-8-11(12,13)14/h3-4,15H,2,5-8H2,1H3
InChIKeyNINJGNOLWHUSIG-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.98
Rot. Bonds7

About N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 55260047) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID55260047
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCc1ccc(CNCCOCC(F)(F)F)s1
InChIInChI=1S/C11H16F3NOS/c1-2-9-3-4-10(17-9)7-15-5-6-16-8-11(12,13)14/h3-4,15H,2,5-8H2,1H3
InChIKeyNINJGNOLWHUSIG-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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 N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 55260047) is N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is CCc1ccc(CNCCOCC(F)(F)F)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is NINJGNOLWHUSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-2-9-3-4-10(17-9)7-15-5-6-16-8-11(12,13)14/h3-4,15H,2,5-8H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 267.32 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 55260047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).