1-ethoxy-N-fluoro-N-methylmethanamine

C4H10FNO — CID 152568720

IUPAC1-ethoxy-N-fluoro-N-methylmethanamine
SMILESCCOCN(C)F
InChIInChI=1S/C4H10FNO/c1-3-7-4-6(2)5/h3-4H2,1-2H3
InChIKeyYRAJSMUEPZGLNK-UHFFFAOYSA-N
MW107.13 g/mol
LogP0.80
Rot. Bonds3

About 1-ethoxy-N-fluoro-N-methylmethanamine

1-ethoxy-N-fluoro-N-methylmethanamine (PubChem CID 152568720) has the molecular formula C4H10FNO and a molecular weight of 107.13 g/mol. Its IUPAC name is 1-ethoxy-N-fluoro-N-methylmethanamine.

Molecular Properties

Compound Name1-ethoxy-N-fluoro-N-methylmethanamine
PubChem CID152568720
Molecular FormulaC4H10FNO
Molecular Weight107.13 g/mol
Exact Mass107.07
IUPAC Name1-ethoxy-N-fluoro-N-methylmethanamine
SMILESCCOCN(C)F
InChIInChI=1S/C4H10FNO/c1-3-7-4-6(2)5/h3-4H2,1-2H3
InChIKeyYRAJSMUEPZGLNK-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-fluoro-N-methylmethanamine?
The IUPAC name of 1-ethoxy-N-fluoro-N-methylmethanamine (CID 152568720) is 1-ethoxy-N-fluoro-N-methylmethanamine.
What is the SMILES notation for 1-ethoxy-N-fluoro-N-methylmethanamine?
The canonical SMILES for 1-ethoxy-N-fluoro-N-methylmethanamine is CCOCN(C)F.
What is the InChIKey of 1-ethoxy-N-fluoro-N-methylmethanamine?
The InChIKey is YRAJSMUEPZGLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO/c1-3-7-4-6(2)5/h3-4H2,1-2H3.
What are the key properties of 1-ethoxy-N-fluoro-N-methylmethanamine?
1-ethoxy-N-fluoro-N-methylmethanamine has a molecular weight of 107.13 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-fluoro-N-methylmethanamine is sourced from PubChem (CID 152568720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).