2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone

C16H17F2N3O3 — CID 164636125

IUPAC2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
SMILESO=C(COc1ccc(F)c(F)c1)N1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C16H17F2N3O3/c17-14-3-2-12(8-15(14)18)24-11-16(22)20-6-7-23-13(9-20)10-21-5-1-4-19-21/h1-5,8,13H,6-7,9-11H2/t13-/m1/s1
InChIKeyNCOGFXRYPAIHKF-CYBMUJFWSA-N
MW337.33 g/mol
LogP1.47
Rot. Bonds5

About 2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone

2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone (PubChem CID 164636125) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
PubChem CID164636125
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
SMILESO=C(COc1ccc(F)c(F)c1)N1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C16H17F2N3O3/c17-14-3-2-12(8-15(14)18)24-11-16(22)20-6-7-23-13(9-20)10-21-5-1-4-19-21/h1-5,8,13H,6-7,9-11H2/t13-/m1/s1
InChIKeyNCOGFXRYPAIHKF-CYBMUJFWSA-N
XLogP1.47
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone (CID 164636125) is 2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone is O=C(COc1ccc(F)c(F)c1)N1CCO[C@@H](Cn2cccn2)C1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone?
The InChIKey is NCOGFXRYPAIHKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c17-14-3-2-12(8-15(14)18)24-11-16(22)20-6-7-23-13(9-20)10-21-5-1-4-19-21/h1-5,8,13H,6-7,9-11H2/t13-/m1/s1.
What are the key properties of 2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone?
2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone has a molecular weight of 337.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 164636125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).