(2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine

C12H14BrF2NO2 — CID 11573334

IUPAC(2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine
SMILESFC(F)Oc1ccc(Br)cc1C[C@@H]1CNCCO1
InChIInChI=1S/C12H14BrF2NO2/c13-9-1-2-11(18-12(14)15)8(5-9)6-10-7-16-3-4-17-10/h1-2,5,10,12,16H,3-4,6-7H2/t10-/m1/s1
InChIKeyIXUJSOKVQJHUQE-SNVBAGLBSA-N
MW322.15 g/mol
LogP2.58
Rot. Bonds4

About (2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine

(2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine (PubChem CID 11573334) has the molecular formula C12H14BrF2NO2 and a molecular weight of 322.15 g/mol. Its IUPAC name is (2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine
PubChem CID11573334
Molecular FormulaC12H14BrF2NO2
Molecular Weight322.15 g/mol
Exact Mass321.02
IUPAC Name(2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine
SMILESFC(F)Oc1ccc(Br)cc1C[C@@H]1CNCCO1
InChIInChI=1S/C12H14BrF2NO2/c13-9-1-2-11(18-12(14)15)8(5-9)6-10-7-16-3-4-17-10/h1-2,5,10,12,16H,3-4,6-7H2/t10-/m1/s1
InChIKeyIXUJSOKVQJHUQE-SNVBAGLBSA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine?
The IUPAC name of (2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine (CID 11573334) is (2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine.
What is the SMILES notation for (2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine?
The canonical SMILES for (2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine is FC(F)Oc1ccc(Br)cc1C[C@@H]1CNCCO1.
What is the InChIKey of (2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine?
The InChIKey is IXUJSOKVQJHUQE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14BrF2NO2/c13-9-1-2-11(18-12(14)15)8(5-9)6-10-7-16-3-4-17-10/h1-2,5,10,12,16H,3-4,6-7H2/t10-/m1/s1.
What are the key properties of (2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine?
(2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine has a molecular weight of 322.15 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]morpholine is sourced from PubChem (CID 11573334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).