2,2-difluoro-N-methoxy-N-methylethanamine

C4H9F2NO — CID 130900855

IUPAC2,2-difluoro-N-methoxy-N-methylethanamine
SMILESCON(C)CC(F)F
InChIInChI=1S/C4H9F2NO/c1-7(8-2)3-4(5)6/h4H,3H2,1-2H3
InChIKeyZJPMRVZTCPVBDF-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.74
Rot. Bonds3

About 2,2-difluoro-N-methoxy-N-methylethanamine

2,2-difluoro-N-methoxy-N-methylethanamine (PubChem CID 130900855) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 2,2-difluoro-N-methoxy-N-methylethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methoxy-N-methylethanamine
PubChem CID130900855
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name2,2-difluoro-N-methoxy-N-methylethanamine
SMILESCON(C)CC(F)F
InChIInChI=1S/C4H9F2NO/c1-7(8-2)3-4(5)6/h4H,3H2,1-2H3
InChIKeyZJPMRVZTCPVBDF-UHFFFAOYSA-N
XLogP0.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.74
H-Bond Donors ≤ 50
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-methoxy-N-methylethanamine?
The IUPAC name of 2,2-difluoro-N-methoxy-N-methylethanamine (CID 130900855) is 2,2-difluoro-N-methoxy-N-methylethanamine.
What is the SMILES notation for 2,2-difluoro-N-methoxy-N-methylethanamine?
The canonical SMILES for 2,2-difluoro-N-methoxy-N-methylethanamine is CON(C)CC(F)F.
What is the InChIKey of 2,2-difluoro-N-methoxy-N-methylethanamine?
The InChIKey is ZJPMRVZTCPVBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-7(8-2)3-4(5)6/h4H,3H2,1-2H3.
What are the key properties of 2,2-difluoro-N-methoxy-N-methylethanamine?
2,2-difluoro-N-methoxy-N-methylethanamine has a molecular weight of 125.12 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methoxy-N-methylethanamine is sourced from PubChem (CID 130900855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).