2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone

C12H14F2N2O3 — CID 134849758

IUPAC2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone
SMILESCOc1ccncc1C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C12H14F2N2O3/c1-18-10-2-3-15-8-9(10)12(13,14)11(17)16-4-6-19-7-5-16/h2-3,8H,4-7H2,1H3
InChIKeySCFBSJIDQCPCKW-UHFFFAOYSA-N
MW272.25 g/mol
LogP1.04
Rot. Bonds3

About 2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone

2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone (PubChem CID 134849758) has the molecular formula C12H14F2N2O3 and a molecular weight of 272.25 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone
PubChem CID134849758
Molecular FormulaC12H14F2N2O3
Molecular Weight272.25 g/mol
Exact Mass272.10
IUPAC Name2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone
SMILESCOc1ccncc1C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C12H14F2N2O3/c1-18-10-2-3-15-8-9(10)12(13,14)11(17)16-4-6-19-7-5-16/h2-3,8H,4-7H2,1H3
InChIKeySCFBSJIDQCPCKW-UHFFFAOYSA-N
XLogP1.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone (CID 134849758) is 2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone is COc1ccncc1C(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone?
The InChIKey is SCFBSJIDQCPCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3/c1-18-10-2-3-15-8-9(10)12(13,14)11(17)16-4-6-19-7-5-16/h2-3,8H,4-7H2,1H3.
What are the key properties of 2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone?
2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone has a molecular weight of 272.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-methoxy-3-pyridinyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 134849758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).