2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine

C6H12FNO — CID 174261668

IUPAC2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine
SMILESCCOC(=CF)CNC
InChIInChI=1S/C6H12FNO/c1-3-9-6(4-7)5-8-2/h4,8H,3,5H2,1-2H3
InChIKeySLJXZQRKOYMBPE-UHFFFAOYSA-N
MW133.17 g/mol
LogP1.05
Rot. Bonds4

About 2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine

2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine (PubChem CID 174261668) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine
PubChem CID174261668
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine
SMILESCCOC(=CF)CNC
InChIInChI=1S/C6H12FNO/c1-3-9-6(4-7)5-8-2/h4,8H,3,5H2,1-2H3
InChIKeySLJXZQRKOYMBPE-UHFFFAOYSA-N
XLogP1.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine?
The IUPAC name of 2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine (CID 174261668) is 2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine is CCOC(=CF)CNC.
What is the InChIKey of 2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine?
The InChIKey is SLJXZQRKOYMBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-3-9-6(4-7)5-8-2/h4,8H,3,5H2,1-2H3.
What are the key properties of 2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine?
2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine has a molecular weight of 133.17 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine is sourced from PubChem (CID 174261668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).