2-fluoro-N-methoxy-N-methylethanamine

C4H10FNO — CID 123460917

IUPAC2-fluoro-N-methoxy-N-methylethanamine
SMILESCON(C)CCF
InChIInChI=1S/C4H10FNO/c1-6(7-2)4-3-5/h3-4H2,1-2H3
InChIKeyVXLBXLUNYKXNHM-UHFFFAOYSA-N
MW107.13 g/mol
LogP0.45
Rot. Bonds3

About 2-fluoro-N-methoxy-N-methylethanamine

2-fluoro-N-methoxy-N-methylethanamine (PubChem CID 123460917) has the molecular formula C4H10FNO and a molecular weight of 107.13 g/mol. Its IUPAC name is 2-fluoro-N-methoxy-N-methylethanamine.

Molecular Properties

Compound Name2-fluoro-N-methoxy-N-methylethanamine
PubChem CID123460917
Molecular FormulaC4H10FNO
Molecular Weight107.13 g/mol
Exact Mass107.07
IUPAC Name2-fluoro-N-methoxy-N-methylethanamine
SMILESCON(C)CCF
InChIInChI=1S/C4H10FNO/c1-6(7-2)4-3-5/h3-4H2,1-2H3
InChIKeyVXLBXLUNYKXNHM-UHFFFAOYSA-N
XLogP0.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-methoxy-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methoxy-N-methylethanamine?
The IUPAC name of 2-fluoro-N-methoxy-N-methylethanamine (CID 123460917) is 2-fluoro-N-methoxy-N-methylethanamine.
What is the SMILES notation for 2-fluoro-N-methoxy-N-methylethanamine?
The canonical SMILES for 2-fluoro-N-methoxy-N-methylethanamine is CON(C)CCF.
What is the InChIKey of 2-fluoro-N-methoxy-N-methylethanamine?
The InChIKey is VXLBXLUNYKXNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO/c1-6(7-2)4-3-5/h3-4H2,1-2H3.
What are the key properties of 2-fluoro-N-methoxy-N-methylethanamine?
2-fluoro-N-methoxy-N-methylethanamine has a molecular weight of 107.13 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methoxy-N-methylethanamine is sourced from PubChem (CID 123460917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).