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

C9H13F2NO2 — CID 45080992

IUPAC2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CCC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C9H13F2NO2/c1-2-3-9(10,11)8(13)12-4-6-14-7-5-12/h2H,1,3-7H2
InChIKeyJLCTZPXMGWXMME-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.06
Rot. Bonds3

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

2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 45080992) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one
PubChem CID45080992
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CCC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C9H13F2NO2/c1-2-3-9(10,11)8(13)12-4-6-14-7-5-12/h2H,1,3-7H2
InChIKeyJLCTZPXMGWXMME-UHFFFAOYSA-N
XLogP1.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.06
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-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of 2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one (CID 45080992) is 2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for 2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for 2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one is C=CCC(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is JLCTZPXMGWXMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-2-3-9(10,11)8(13)12-4-6-14-7-5-12/h2H,1,3-7H2.
What are the key properties of 2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one?
2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one has a molecular weight of 205.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 45080992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).