2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one

C10H15F2NO2 — CID 168720309

IUPAC2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=C(C)CC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C10H15F2NO2/c1-8(2)7-10(11,12)9(14)13-3-5-15-6-4-13/h1,3-7H2,2H3
InChIKeyKDIYTULKGKOLDG-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.45
Rot. Bonds3

About 2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one

2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 168720309) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one
PubChem CID168720309
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=C(C)CC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C10H15F2NO2/c1-8(2)7-10(11,12)9(14)13-3-5-15-6-4-13/h1,3-7H2,2H3
InChIKeyKDIYTULKGKOLDG-UHFFFAOYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Difluoro-5-methyl-4-methylene-1-morpholinohexan-1-one
CID 168720300
5-Ethyl-2,2-difluoro-4-methylene-1-morpholinoheptan-1-one
CID 168720301
2,2-Difluoro-4-methylene-1-morpholinoheptan-1-one
CID 168720303
2,2-Difluoro-6-methyl-4-methylene-1-morpholinoheptan-1-one
CID 168720304
2,2-Difluoro-6,6-dimethyl-4-methylene-1-morpholinoheptan-1-one
CID 168720305
(E)-4-ethyl-2,2-difluoro-1-morpholinohex-4-en-1-one
CID 168720313
2,2-Difluoro-3,4-dimethyl-1-morpholinopent-4-en-1-one
CID 168720316
2,2-Difluoro-1-(morpholin-4-yl)pent-4-en-1-one
CID 45080992
2-(Difluoromethoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
CID 126769969
1-(2-Methoxyethyl)-3-methylidenepiperidin-2-one
CID 23382661
3-Methyl-1-morpholin-4-ylbut-3-en-1-one
CID 126995683
(E)-4-methyl-1-morpholin-4-ylhex-4-en-1-one
CID 11367613

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of 2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one (CID 168720309) is 2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for 2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for 2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one is C=C(C)CC(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is KDIYTULKGKOLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-8(2)7-10(11,12)9(14)13-3-5-15-6-4-13/h1,3-7H2,2H3.
What are the key properties of 2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one?
2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one has a molecular weight of 219.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methyl-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 168720309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).