2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one

C11H17F2NO2 — CID 168720316

IUPAC2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=C(C)C(C)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C11H17F2NO2/c1-8(2)9(3)11(12,13)10(15)14-4-6-16-7-5-14/h9H,1,4-7H2,2-3H3
InChIKeyIFDGOQMCKORXAF-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.69
Rot. Bonds3

About 2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one

2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 168720316) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one
PubChem CID168720316
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=C(C)C(C)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C11H17F2NO2/c1-8(2)9(3)11(12,13)10(15)14-4-6-16-7-5-14/h9H,1,4-7H2,2-3H3
InChIKeyIFDGOQMCKORXAF-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of 2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one (CID 168720316) is 2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for 2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for 2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one is C=C(C)C(C)C(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is IFDGOQMCKORXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-8(2)9(3)11(12,13)10(15)14-4-6-16-7-5-14/h9H,1,4-7H2,2-3H3.
What are the key properties of 2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one has a molecular weight of 233.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,4-dimethyl-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 168720316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).