2,2-difluoro-2-methoxyethanamine

C3H7F2NO — CID 167740836

IUPAC2,2-difluoro-2-methoxyethanamine
SMILESCOC(F)(F)CN
InChIInChI=1S/C3H7F2NO/c1-7-3(4,5)2-6/h2,6H2,1H3
InChIKeyDJXAONZPTWWMOU-UHFFFAOYSA-N
MW111.09 g/mol
LogP0.18
Rot. Bonds2

About 2,2-difluoro-2-methoxyethanamine

2,2-difluoro-2-methoxyethanamine (PubChem CID 167740836) has the molecular formula C3H7F2NO and a molecular weight of 111.09 g/mol. Its IUPAC name is 2,2-difluoro-2-methoxyethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-methoxyethanamine
PubChem CID167740836
Molecular FormulaC3H7F2NO
Molecular Weight111.09 g/mol
Exact Mass111.05
IUPAC Name2,2-difluoro-2-methoxyethanamine
SMILESCOC(F)(F)CN
InChIInChI=1S/C3H7F2NO/c1-7-3(4,5)2-6/h2,6H2,1H3
InChIKeyDJXAONZPTWWMOU-UHFFFAOYSA-N
XLogP0.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2,2-difluoro-2-methoxyethanamine?
The IUPAC name of 2,2-difluoro-2-methoxyethanamine (CID 167740836) is 2,2-difluoro-2-methoxyethanamine.
What is the SMILES notation for 2,2-difluoro-2-methoxyethanamine?
The canonical SMILES for 2,2-difluoro-2-methoxyethanamine is COC(F)(F)CN.
What is the InChIKey of 2,2-difluoro-2-methoxyethanamine?
The InChIKey is DJXAONZPTWWMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO/c1-7-3(4,5)2-6/h2,6H2,1H3.
What are the key properties of 2,2-difluoro-2-methoxyethanamine?
2,2-difluoro-2-methoxyethanamine has a molecular weight of 111.09 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-methoxyethanamine is sourced from PubChem (CID 167740836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).