(2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone

C15H13F2N3O2 — CID 124986914

IUPAC(2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCO[C@H](c2cnccn2)C1
InChIInChI=1S/C15H13F2N3O2/c16-10-2-1-3-11(17)14(10)15(21)20-6-7-22-13(9-20)12-8-18-4-5-19-12/h1-5,8,13H,6-7,9H2/t13-/m0/s1
InChIKeyOCBBHBOSEHXDSK-ZDUSSCGKSA-N
MW305.28 g/mol
LogP1.97
Rot. Bonds2

About (2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone

(2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone (PubChem CID 124986914) has the molecular formula C15H13F2N3O2 and a molecular weight of 305.28 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
PubChem CID124986914
Molecular FormulaC15H13F2N3O2
Molecular Weight305.28 g/mol
Exact Mass305.10
IUPAC Name(2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCO[C@H](c2cnccn2)C1
InChIInChI=1S/C15H13F2N3O2/c16-10-2-1-3-11(17)14(10)15(21)20-6-7-22-13(9-20)12-8-18-4-5-19-12/h1-5,8,13H,6-7,9H2/t13-/m0/s1
InChIKeyOCBBHBOSEHXDSK-ZDUSSCGKSA-N
XLogP1.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246249
(4-methoxyphenyl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124969089
(2-pyrazin-2-ylmorpholin-4-yl)-quinolin-6-ylmethanone
CID 110103222
(1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124998929
[(2R)-2-pyrazin-2-ylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125022410
1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 125012365
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124953737
[2-(2-fluorophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 84510735
3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124947678
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 127246248
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
4-(2-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 127246296

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone (CID 124986914) is (2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone is O=C(c1c(F)cccc1F)N1CCO[C@H](c2cnccn2)C1.
What is the InChIKey of (2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
The InChIKey is OCBBHBOSEHXDSK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13F2N3O2/c16-10-2-1-3-11(17)14(10)15(21)20-6-7-22-13(9-20)12-8-18-4-5-19-12/h1-5,8,13H,6-7,9H2/t13-/m0/s1.
What are the key properties of (2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
(2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone has a molecular weight of 305.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone is sourced from PubChem (CID 124986914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).