2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine

C7H14F3NOS — CID 62578438

IUPAC2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
SMILESCOCCSCCNCC(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-12-3-5-13-4-2-11-6-7(8,9)10/h11H,2-6H2,1H3
InChIKeyCOXKIUSBQXTUIZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.52
Rot. Bonds7

About 2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine (PubChem CID 62578438) has the molecular formula C7H14F3NOS and a molecular weight of 217.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
PubChem CID62578438
Molecular FormulaC7H14F3NOS
Molecular Weight217.26 g/mol
Exact Mass217.07
IUPAC Name2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
SMILESCOCCSCCNCC(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-12-3-5-13-4-2-11-6-7(8,9)10/h11H,2-6H2,1H3
InChIKeyCOXKIUSBQXTUIZ-UHFFFAOYSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.52
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 2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine (CID 62578438) is 2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine is COCCSCCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine?
The InChIKey is COXKIUSBQXTUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NOS/c1-12-3-5-13-4-2-11-6-7(8,9)10/h11H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine has a molecular weight of 217.26 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 62578438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).