2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine

C12H13F2NO3 — CID 67073207

IUPAC2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine
SMILESFC1(F)Oc2cccc(CC3CNCCO3)c2O1
InChIInChI=1S/C12H13F2NO3/c13-12(14)17-10-3-1-2-8(11(10)18-12)6-9-7-15-4-5-16-9/h1-3,9,15H,4-7H2
InChIKeyRETIHOLPIXIXLQ-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.54
Rot. Bonds2

About 2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine

2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine (PubChem CID 67073207) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine
PubChem CID67073207
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine
SMILESFC1(F)Oc2cccc(CC3CNCCO3)c2O1
InChIInChI=1S/C12H13F2NO3/c13-12(14)17-10-3-1-2-8(11(10)18-12)6-9-7-15-4-5-16-9/h1-3,9,15H,4-7H2
InChIKeyRETIHOLPIXIXLQ-UHFFFAOYSA-N
XLogP1.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine?
The IUPAC name of 2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine (CID 67073207) is 2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine?
The canonical SMILES for 2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine is FC1(F)Oc2cccc(CC3CNCCO3)c2O1.
What is the InChIKey of 2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine?
The InChIKey is RETIHOLPIXIXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c13-12(14)17-10-3-1-2-8(11(10)18-12)6-9-7-15-4-5-16-9/h1-3,9,15H,4-7H2.
What are the key properties of 2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine?
2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine has a molecular weight of 257.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine is sourced from PubChem (CID 67073207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).