4-fluoro-4-morpholin-4-ylbut-2-enamide

C8H13FN2O2 — CID 174765550

IUPAC4-fluoro-4-morpholin-4-ylbut-2-enamide
SMILESNC(=O)C=CC(F)N1CCOCC1
InChIInChI=1S/C8H13FN2O2/c9-7(1-2-8(10)12)11-3-5-13-6-4-11/h1-2,7H,3-6H2,(H2,10,12)
InChIKeyZAAKIMKKLIABKY-UHFFFAOYSA-N
MW188.20 g/mol
LogP-0.34
Rot. Bonds3

About 4-fluoro-4-morpholin-4-ylbut-2-enamide

4-fluoro-4-morpholin-4-ylbut-2-enamide (PubChem CID 174765550) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 4-fluoro-4-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound Name4-fluoro-4-morpholin-4-ylbut-2-enamide
PubChem CID174765550
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC Name4-fluoro-4-morpholin-4-ylbut-2-enamide
SMILESNC(=O)C=CC(F)N1CCOCC1
InChIInChI=1S/C8H13FN2O2/c9-7(1-2-8(10)12)11-3-5-13-6-4-11/h1-2,7H,3-6H2,(H2,10,12)
InChIKeyZAAKIMKKLIABKY-UHFFFAOYSA-N
XLogP-0.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-morpholin-4-ylbut-2-enamide?
The IUPAC name of 4-fluoro-4-morpholin-4-ylbut-2-enamide (CID 174765550) is 4-fluoro-4-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for 4-fluoro-4-morpholin-4-ylbut-2-enamide?
The canonical SMILES for 4-fluoro-4-morpholin-4-ylbut-2-enamide is NC(=O)C=CC(F)N1CCOCC1.
What is the InChIKey of 4-fluoro-4-morpholin-4-ylbut-2-enamide?
The InChIKey is ZAAKIMKKLIABKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2/c9-7(1-2-8(10)12)11-3-5-13-6-4-11/h1-2,7H,3-6H2,(H2,10,12).
What are the key properties of 4-fluoro-4-morpholin-4-ylbut-2-enamide?
4-fluoro-4-morpholin-4-ylbut-2-enamide has a molecular weight of 188.20 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 174765550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).