2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide

C8H14FNO3 — CID 173435394

IUPAC2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)COC(C)C=CF
InChIInChI=1S/C8H14FNO3/c1-7(4-5-9)13-6-8(11)10(2)12-3/h4-5,7H,6H2,1-3H3
InChIKeyPKXAXLVKRSBARZ-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.89
Rot. Bonds5

About 2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide

2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide (PubChem CID 173435394) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide
PubChem CID173435394
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)COC(C)C=CF
InChIInChI=1S/C8H14FNO3/c1-7(4-5-9)13-6-8(11)10(2)12-3/h4-5,7H,6H2,1-3H3
InChIKeyPKXAXLVKRSBARZ-UHFFFAOYSA-N
XLogP0.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide (CID 173435394) is 2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide is CON(C)C(=O)COC(C)C=CF.
What is the InChIKey of 2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide?
The InChIKey is PKXAXLVKRSBARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-7(4-5-9)13-6-8(11)10(2)12-3/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide?
2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide has a molecular weight of 191.20 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobut-3-en-2-yloxy)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 173435394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).