2,2-difluoro-N-methoxyethanamine

C3H7F2NO — CID 57444894

IUPAC2,2-difluoro-N-methoxyethanamine
SMILESCONCC(F)F
InChIInChI=1S/C3H7F2NO/c1-7-6-2-3(4)5/h3,6H,2H2,1H3
InChIKeyVRTCCKRWHIVXMJ-UHFFFAOYSA-N
MW111.09 g/mol
LogP0.40
Rot. Bonds3

About 2,2-difluoro-N-methoxyethanamine

2,2-difluoro-N-methoxyethanamine (PubChem CID 57444894) has the molecular formula C3H7F2NO and a molecular weight of 111.09 g/mol. Its IUPAC name is 2,2-difluoro-N-methoxyethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methoxyethanamine
PubChem CID57444894
Molecular FormulaC3H7F2NO
Molecular Weight111.09 g/mol
Exact Mass111.05
IUPAC Name2,2-difluoro-N-methoxyethanamine
SMILESCONCC(F)F
InChIInChI=1S/C3H7F2NO/c1-7-6-2-3(4)5/h3,6H,2H2,1H3
InChIKeyVRTCCKRWHIVXMJ-UHFFFAOYSA-N
XLogP0.40
TPSA21.26 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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methoxyethanamine?
The IUPAC name of 2,2-difluoro-N-methoxyethanamine (CID 57444894) is 2,2-difluoro-N-methoxyethanamine.
What is the SMILES notation for 2,2-difluoro-N-methoxyethanamine?
The canonical SMILES for 2,2-difluoro-N-methoxyethanamine is CONCC(F)F.
What is the InChIKey of 2,2-difluoro-N-methoxyethanamine?
The InChIKey is VRTCCKRWHIVXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO/c1-7-6-2-3(4)5/h3,6H,2H2,1H3.
What are the key properties of 2,2-difluoro-N-methoxyethanamine?
2,2-difluoro-N-methoxyethanamine has a molecular weight of 111.09 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methoxyethanamine is sourced from PubChem (CID 57444894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).