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

C5H12ClF2NO — CID 47003170

IUPAC2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride
SMILESCOCCNCC(F)F.Cl
InChIInChI=1S/C5H11F2NO.ClH/c1-9-3-2-8-4-5(6)7;/h5,8H,2-4H2,1H3;1H
InChIKeyALDZFQLZDYAAJH-UHFFFAOYSA-N
MW175.61 g/mol
LogP0.91
Rot. Bonds5

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

2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride (PubChem CID 47003170) has the molecular formula C5H12ClF2NO and a molecular weight of 175.61 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride
PubChem CID47003170
Molecular FormulaC5H12ClF2NO
Molecular Weight175.61 g/mol
Exact Mass175.06
IUPAC Name2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride
SMILESCOCCNCC(F)F.Cl
InChIInChI=1S/C5H11F2NO.ClH/c1-9-3-2-8-4-5(6)7;/h5,8H,2-4H2,1H3;1H
InChIKeyALDZFQLZDYAAJH-UHFFFAOYSA-N
XLogP0.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 50.91
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-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride?
The IUPAC name of 2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride (CID 47003170) is 2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride?
The canonical SMILES for 2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride is COCCNCC(F)F.Cl.
What is the InChIKey of 2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride?
The InChIKey is ALDZFQLZDYAAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO.ClH/c1-9-3-2-8-4-5(6)7;/h5,8H,2-4H2,1H3;1H.
What are the key properties of 2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride?
2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride has a molecular weight of 175.61 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methoxyethyl)ethanamine;hydrochloride is sourced from PubChem (CID 47003170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).