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

C5H11ClF3NO — CID 47002376

IUPAC2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine;hydrochloride
SMILESCOCCNCC(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-10-3-2-9-4-5(6,7)8;/h9H,2-4H2,1H3;1H
InChIKeyHSFVUZKSYJJEON-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.21
Rot. Bonds4

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

2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine;hydrochloride (PubChem CID 47002376) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine;hydrochloride
PubChem CID47002376
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine;hydrochloride
SMILESCOCCNCC(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-10-3-2-9-4-5(6,7)8;/h9H,2-4H2,1H3;1H
InChIKeyHSFVUZKSYJJEON-UHFFFAOYSA-N
XLogP1.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.60
LogP ≤ 51.21
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;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine;hydrochloride (CID 47002376) is 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine;hydrochloride is COCCNCC(F)(F)F.Cl.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine;hydrochloride?
The InChIKey is HSFVUZKSYJJEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c1-10-3-2-9-4-5(6,7)8;/h9H,2-4H2,1H3;1H.
What are the key properties of 2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine;hydrochloride?
2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.21, 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;hydrochloride is sourced from PubChem (CID 47002376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).