3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one

C9H12FNO2 — CID 123987196

IUPAC3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one
SMILESC=C(F)C(=C)C(=O)N1CCOCC1
InChIInChI=1S/C9H12FNO2/c1-7(8(2)10)9(12)11-3-5-13-6-4-11/h1-6H2
InChIKeyFUGBNDDNQNGMAF-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.88
Rot. Bonds2

About 3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one

3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one (PubChem CID 123987196) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one.

Molecular Properties

Compound Name3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one
PubChem CID123987196
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one
SMILESC=C(F)C(=C)C(=O)N1CCOCC1
InChIInChI=1S/C9H12FNO2/c1-7(8(2)10)9(12)11-3-5-13-6-4-11/h1-6H2
InChIKeyFUGBNDDNQNGMAF-UHFFFAOYSA-N
XLogP0.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-Methacryloylmorpholine
CID 78796
1-Morpholin-4-yl-2-(trifluoromethyl)prop-2-en-1-one
CID 134918161
2-Methylidene-1-morpholin-4-ylbut-3-en-1-one
CID 10511287
Ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one
CID 54313842
2-Ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 85271848
2-Methylidene-1-morpholin-4-ylbutan-1-one
CID 90856738
2-Ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one
CID 123850567
3-Methyl-2-methylidene-1-morpholin-4-ylbut-3-en-1-one
CID 144008593
1-(3,3-Dimethylmorpholin-4-yl)-2-methylidenebut-3-en-1-one
CID 144636953
2-Methyl-1-morpholin-4-ylbuta-2,3-dien-1-one
CID 145641020
2-Methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride
CID 156752886
Buta-1,3-diene;2-methylidene-1-morpholin-4-ylbut-3-en-1-one
CID 159378207

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one?
The IUPAC name of 3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one (CID 123987196) is 3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one.
What is the SMILES notation for 3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one?
The canonical SMILES for 3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one is C=C(F)C(=C)C(=O)N1CCOCC1.
What is the InChIKey of 3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one?
The InChIKey is FUGBNDDNQNGMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-7(8(2)10)9(12)11-3-5-13-6-4-11/h1-6H2.
What are the key properties of 3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one?
3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one has a molecular weight of 185.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one is sourced from PubChem (CID 123987196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).