2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide

C7H12FNO2 — CID 88551603

IUPAC2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide
SMILESC=CCN(C)C(=O)COCF
InChIInChI=1S/C7H12FNO2/c1-3-4-9(2)7(10)5-11-6-8/h3H,1,4-6H2,2H3
InChIKeyXRSHSIFHIUHSER-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.57
Rot. Bonds5

About 2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide

2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide (PubChem CID 88551603) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide
PubChem CID88551603
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide
SMILESC=CCN(C)C(=O)COCF
InChIInChI=1S/C7H12FNO2/c1-3-4-9(2)7(10)5-11-6-8/h3H,1,4-6H2,2H3
InChIKeyXRSHSIFHIUHSER-UHFFFAOYSA-N
XLogP0.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide 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-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide (CID 88551603) is 2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide is C=CCN(C)C(=O)COCF.
What is the InChIKey of 2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide?
The InChIKey is XRSHSIFHIUHSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-3-4-9(2)7(10)5-11-6-8/h3H,1,4-6H2,2H3.
What are the key properties of 2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide?
2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide has a molecular weight of 161.18 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide is sourced from PubChem (CID 88551603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).