1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride

C4H9ClF3NO — CID 153326086

IUPAC1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride
SMILESCC(N)OCC(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-3(8)9-2-4(5,6)7;/h3H,2,8H2,1H3;1H
InChIKeyYHEFJQINZLSHPO-UHFFFAOYSA-N
MW179.57 g/mol
LogP1.29
Rot. Bonds2

About 1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride

1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride (PubChem CID 153326086) has the molecular formula C4H9ClF3NO and a molecular weight of 179.57 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride
PubChem CID153326086
Molecular FormulaC4H9ClF3NO
Molecular Weight179.57 g/mol
Exact Mass179.03
IUPAC Name1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride
SMILESCC(N)OCC(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-3(8)9-2-4(5,6)7;/h3H,2,8H2,1H3;1H
InChIKeyYHEFJQINZLSHPO-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.57
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride (CID 153326086) is 1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride is CC(N)OCC(F)(F)F.Cl.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride?
The InChIKey is YHEFJQINZLSHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO.ClH/c1-3(8)9-2-4(5,6)7;/h3H,2,8H2,1H3;1H.
What are the key properties of 1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride?
1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride has a molecular weight of 179.57 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)ethanamine;hydrochloride is sourced from PubChem (CID 153326086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).