2-(difluoromethoxy)ethanamine

C3H7F2NO — CID 84715994

IUPAC2-(difluoromethoxy)ethanamine
SMILESNCCOC(F)F
InChIInChI=1S/C3H7F2NO/c4-3(5)7-2-1-6/h3H,1-2,6H2
InChIKeyXVHQHDWOVYAABP-UHFFFAOYSA-N
MW111.09 g/mol
LogP0.18
Rot. Bonds3

About 2-(difluoromethoxy)ethanamine

2-(difluoromethoxy)ethanamine (PubChem CID 84715994) has the molecular formula C3H7F2NO and a molecular weight of 111.09 g/mol. Its IUPAC name is 2-(difluoromethoxy)ethanamine.

Molecular Properties

Compound Name2-(difluoromethoxy)ethanamine
PubChem CID84715994
Molecular FormulaC3H7F2NO
Molecular Weight111.09 g/mol
Exact Mass111.05
IUPAC Name2-(difluoromethoxy)ethanamine
SMILESNCCOC(F)F
InChIInChI=1S/C3H7F2NO/c4-3(5)7-2-1-6/h3H,1-2,6H2
InChIKeyXVHQHDWOVYAABP-UHFFFAOYSA-N
XLogP0.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.09
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)ethanamine?
The IUPAC name of 2-(difluoromethoxy)ethanamine (CID 84715994) is 2-(difluoromethoxy)ethanamine.
What is the SMILES notation for 2-(difluoromethoxy)ethanamine?
The canonical SMILES for 2-(difluoromethoxy)ethanamine is NCCOC(F)F.
What is the InChIKey of 2-(difluoromethoxy)ethanamine?
The InChIKey is XVHQHDWOVYAABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO/c4-3(5)7-2-1-6/h3H,1-2,6H2.
What are the key properties of 2-(difluoromethoxy)ethanamine?
2-(difluoromethoxy)ethanamine has a molecular weight of 111.09 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)ethanamine is sourced from PubChem (CID 84715994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).