2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine

C5H10F3NO — CID 6504212

IUPAC2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-10-3-2-9-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeySGCUTWAQDLODGV-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.78
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine

2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine (PubChem CID 6504212) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine
PubChem CID6504212
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-10-3-2-9-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeySGCUTWAQDLODGV-UHFFFAOYSA-N
XLogP0.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxyethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine (CID 6504212) is 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine is COCCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine?
The InChIKey is SGCUTWAQDLODGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-10-3-2-9-4-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine?
2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine has a molecular weight of 157.13 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 6504212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).