2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine

C16H16F2N2O2 — CID 11594682

IUPAC2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine
SMILESFc1ccc(OC(c2ccccn2)C2CNCCO2)c(F)c1
InChIInChI=1S/C16H16F2N2O2/c17-11-4-5-14(12(18)9-11)22-16(13-3-1-2-6-20-13)15-10-19-7-8-21-15/h1-6,9,15-16,19H,7-8,10H2
InChIKeyFDKOWWGJOIWTIA-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.47
Rot. Bonds4

About 2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine

2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine (PubChem CID 11594682) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine
PubChem CID11594682
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine
SMILESFc1ccc(OC(c2ccccn2)C2CNCCO2)c(F)c1
InChIInChI=1S/C16H16F2N2O2/c17-11-4-5-14(12(18)9-11)22-16(13-3-1-2-6-20-13)15-10-19-7-8-21-15/h1-6,9,15-16,19H,7-8,10H2
InChIKeyFDKOWWGJOIWTIA-UHFFFAOYSA-N
XLogP2.47
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine?
The IUPAC name of 2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine (CID 11594682) is 2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine?
The canonical SMILES for 2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine is Fc1ccc(OC(c2ccccn2)C2CNCCO2)c(F)c1.
What is the InChIKey of 2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine?
The InChIKey is FDKOWWGJOIWTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c17-11-4-5-14(12(18)9-11)22-16(13-3-1-2-6-20-13)15-10-19-7-8-21-15/h1-6,9,15-16,19H,7-8,10H2.
What are the key properties of 2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine?
2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine has a molecular weight of 306.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine is sourced from PubChem (CID 11594682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).