2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C8H16F3NOS — CID 62578009

IUPAC2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOCCSC(C)CNCC(F)(F)F
InChIInChI=1S/C8H16F3NOS/c1-7(14-4-3-13-2)5-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyOCQYBENHFKCNGH-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.91
Rot. Bonds7

About 2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62578009) has the molecular formula C8H16F3NOS and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62578009
Molecular FormulaC8H16F3NOS
Molecular Weight231.28 g/mol
Exact Mass231.09
IUPAC Name2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOCCSC(C)CNCC(F)(F)F
InChIInChI=1S/C8H16F3NOS/c1-7(14-4-3-13-2)5-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyOCQYBENHFKCNGH-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.91
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-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62578009) is 2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is COCCSC(C)CNCC(F)(F)F.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is OCQYBENHFKCNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NOS/c1-7(14-4-3-13-2)5-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 231.28 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62578009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).