2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C7H14F3NO2S — CID 106426811

IUPAC2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCOC(CNCCSC(F)(F)F)OC
InChIInChI=1S/C7H14F3NO2S/c1-12-6(13-2)5-11-3-4-14-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyBQSRVJTUAYAAKG-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.45
Rot. Bonds7

About 2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 106426811) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID106426811
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC Name2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCOC(CNCCSC(F)(F)F)OC
InChIInChI=1S/C7H14F3NO2S/c1-12-6(13-2)5-11-3-4-14-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyBQSRVJTUAYAAKG-UHFFFAOYSA-N
XLogP1.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 106426811) is 2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is COC(CNCCSC(F)(F)F)OC.
What is the InChIKey of 2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is BQSRVJTUAYAAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-12-6(13-2)5-11-3-4-14-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 233.25 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 106426811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).