4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine

C16H16F2N2O — CID 46044526

IUPAC4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine
SMILESFc1ccc(F)c(-c2cncc(CN3CCOCC3)c2)c1
InChIInChI=1S/C16H16F2N2O/c17-14-1-2-16(18)15(8-14)13-7-12(9-19-10-13)11-20-3-5-21-6-4-20/h1-2,7-10H,3-6,11H2
InChIKeyREBPYABOLSXJOJ-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.86
Rot. Bonds3

About 4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine

4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine (PubChem CID 46044526) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine
PubChem CID46044526
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine
SMILESFc1ccc(F)c(-c2cncc(CN3CCOCC3)c2)c1
InChIInChI=1S/C16H16F2N2O/c17-14-1-2-16(18)15(8-14)13-7-12(9-19-10-13)11-20-3-5-21-6-4-20/h1-2,7-10H,3-6,11H2
InChIKeyREBPYABOLSXJOJ-UHFFFAOYSA-N
XLogP2.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine?
The IUPAC name of 4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine (CID 46044526) is 4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine?
The canonical SMILES for 4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine is Fc1ccc(F)c(-c2cncc(CN3CCOCC3)c2)c1.
What is the InChIKey of 4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine?
The InChIKey is REBPYABOLSXJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-14-1-2-16(18)15(8-14)13-7-12(9-19-10-13)11-20-3-5-21-6-4-20/h1-2,7-10H,3-6,11H2.
What are the key properties of 4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine?
4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine has a molecular weight of 290.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]morpholine is sourced from PubChem (CID 46044526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).