3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one

C13H19F2NO2 — CID 168720314

IUPAC3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)CC1=CCCCC1
InChIInChI=1S/C13H19F2NO2/c14-13(15,10-11-4-2-1-3-5-11)12(17)16-6-8-18-9-7-16/h4H,1-3,5-10H2
InChIKeyXUBSWTKLQCNRJV-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.37
Rot. Bonds3

About 3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one

3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one (PubChem CID 168720314) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one
PubChem CID168720314
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)CC1=CCCCC1
InChIInChI=1S/C13H19F2NO2/c14-13(15,10-11-4-2-1-3-5-11)12(17)16-6-8-18-9-7-16/h4H,1-3,5-10H2
InChIKeyXUBSWTKLQCNRJV-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.37
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 3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one (CID 168720314) is 3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one is O=C(N1CCOCC1)C(F)(F)CC1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one?
The InChIKey is XUBSWTKLQCNRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c14-13(15,10-11-4-2-1-3-5-11)12(17)16-6-8-18-9-7-16/h4H,1-3,5-10H2.
What are the key properties of 3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one?
3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one has a molecular weight of 259.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-2,2-difluoro-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 168720314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).