1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one

C7H7F4NO2 — CID 86132032

IUPAC1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CC(F)(F)OC(F)(F)C1
InChIInChI=1S/C7H7F4NO2/c1-2-5(13)12-3-6(8,9)14-7(10,11)4-12/h2H,1,3-4H2
InChIKeyOMOYOKFWVDUAGL-UHFFFAOYSA-N
MW213.13 g/mol
LogP1.22
Rot. Bonds1

About 1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one

1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one (PubChem CID 86132032) has the molecular formula C7H7F4NO2 and a molecular weight of 213.13 g/mol. Its IUPAC name is 1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one
PubChem CID86132032
Molecular FormulaC7H7F4NO2
Molecular Weight213.13 g/mol
Exact Mass213.04
IUPAC Name1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CC(F)(F)OC(F)(F)C1
InChIInChI=1S/C7H7F4NO2/c1-2-5(13)12-3-6(8,9)14-7(10,11)4-12/h2H,1,3-4H2
InChIKeyOMOYOKFWVDUAGL-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.13
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one?
The IUPAC name of 1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one (CID 86132032) is 1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one?
The canonical SMILES for 1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one is C=CC(=O)N1CC(F)(F)OC(F)(F)C1.
What is the InChIKey of 1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one?
The InChIKey is OMOYOKFWVDUAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4NO2/c1-2-5(13)12-3-6(8,9)14-7(10,11)4-12/h2H,1,3-4H2.
What are the key properties of 1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one?
1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one has a molecular weight of 213.13 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6,6-tetrafluoromorpholin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 86132032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).