1,1-difluoro-1-methoxy-N-methylmethanamine

C3H7F2NO — CID 154364961

IUPAC1,1-difluoro-1-methoxy-N-methylmethanamine
SMILESCNC(F)(F)OC
InChIInChI=1S/C3H7F2NO/c1-6-3(4,5)7-2/h6H,1-2H3
InChIKeyBUVSPJXQEVYICF-UHFFFAOYSA-N
MW111.09 g/mol
LogP0.40
Rot. Bonds2

About 1,1-difluoro-1-methoxy-N-methylmethanamine

1,1-difluoro-1-methoxy-N-methylmethanamine (PubChem CID 154364961) has the molecular formula C3H7F2NO and a molecular weight of 111.09 g/mol. Its IUPAC name is 1,1-difluoro-1-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name1,1-difluoro-1-methoxy-N-methylmethanamine
PubChem CID154364961
Molecular FormulaC3H7F2NO
Molecular Weight111.09 g/mol
Exact Mass111.05
IUPAC Name1,1-difluoro-1-methoxy-N-methylmethanamine
SMILESCNC(F)(F)OC
InChIInChI=1S/C3H7F2NO/c1-6-3(4,5)7-2/h6H,1-2H3
InChIKeyBUVSPJXQEVYICF-UHFFFAOYSA-N
XLogP0.40
TPSA21.26 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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-methoxy-N-methylmethanamine?
The IUPAC name of 1,1-difluoro-1-methoxy-N-methylmethanamine (CID 154364961) is 1,1-difluoro-1-methoxy-N-methylmethanamine.
What is the SMILES notation for 1,1-difluoro-1-methoxy-N-methylmethanamine?
The canonical SMILES for 1,1-difluoro-1-methoxy-N-methylmethanamine is CNC(F)(F)OC.
What is the InChIKey of 1,1-difluoro-1-methoxy-N-methylmethanamine?
The InChIKey is BUVSPJXQEVYICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO/c1-6-3(4,5)7-2/h6H,1-2H3.
What are the key properties of 1,1-difluoro-1-methoxy-N-methylmethanamine?
1,1-difluoro-1-methoxy-N-methylmethanamine has a molecular weight of 111.09 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-methoxy-N-methylmethanamine is sourced from PubChem (CID 154364961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).