2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one

C8H9F2N3O2 — CID 170711442

IUPAC2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one
SMILESCn1cc(C2CNC(=O)C(F)(F)O2)cn1
InChIInChI=1S/C8H9F2N3O2/c1-13-4-5(2-12-13)6-3-11-7(14)8(9,10)15-6/h2,4,6H,3H2,1H3,(H,11,14)
InChIKeyPPHKYUMQBAZIMS-UHFFFAOYSA-N
MW217.17 g/mol
LogP0.20
Rot. Bonds1

About 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one

2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one (PubChem CID 170711442) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.17 g/mol. Its IUPAC name is 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one.

Molecular Properties

Compound Name2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one
PubChem CID170711442
Molecular FormulaC8H9F2N3O2
Molecular Weight217.17 g/mol
Exact Mass217.07
IUPAC Name2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one
SMILESCn1cc(C2CNC(=O)C(F)(F)O2)cn1
InChIInChI=1S/C8H9F2N3O2/c1-13-4-5(2-12-13)6-3-11-7(14)8(9,10)15-6/h2,4,6H,3H2,1H3,(H,11,14)
InChIKeyPPHKYUMQBAZIMS-UHFFFAOYSA-N
XLogP0.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 71695337
2-methyl-2-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 71756151
2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 136547599
5-[1-(Difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine
CID 166121207
2-Cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine
CID 166121405
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine
CID 166121424
(2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine
CID 166121657
2-(1-Cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine
CID 166122046
[2-[1-(Difluoromethyl)pyrazol-4-yl]-6-methylmorpholin-4-yl] thiohypoiodite
CID 166122153
(2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine
CID 166122705
2,2-Difluoro-6-(1-methylpyrazol-4-yl)morpholine
CID 170711803
2-(1-Cyclopropylpyrazol-4-yl)morpholine;2,2,2-trifluoroacetic acid
CID 176234598

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one?
The IUPAC name of 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one (CID 170711442) is 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one.
What is the SMILES notation for 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one?
The canonical SMILES for 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one is Cn1cc(C2CNC(=O)C(F)(F)O2)cn1.
What is the InChIKey of 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one?
The InChIKey is PPHKYUMQBAZIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c1-13-4-5(2-12-13)6-3-11-7(14)8(9,10)15-6/h2,4,6H,3H2,1H3,(H,11,14).
What are the key properties of 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one?
2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one has a molecular weight of 217.17 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one is sourced from PubChem (CID 170711442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).