2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol

C10H11BrFNO2 — CID 131483813

IUPAC2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol
SMILESOc1c([C@@H]2COCCN2)ccc(F)c1Br
InChIInChI=1S/C10H11BrFNO2/c11-9-7(12)2-1-6(10(9)14)8-5-15-4-3-13-8/h1-2,8,13-14H,3-5H2/t8-/m0/s1
InChIKeyXIOCUTALPLBJFI-QMMMGPOBSA-N
MW276.11 g/mol
LogP1.95
Rot. Bonds1

About 2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol

2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol (PubChem CID 131483813) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol.

Molecular Properties

Compound Name2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol
PubChem CID131483813
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol
SMILESOc1c([C@@H]2COCCN2)ccc(F)c1Br
InChIInChI=1S/C10H11BrFNO2/c11-9-7(12)2-1-6(10(9)14)8-5-15-4-3-13-8/h1-2,8,13-14H,3-5H2/t8-/m0/s1
InChIKeyXIOCUTALPLBJFI-QMMMGPOBSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-2-[(morpholin-4-yl)methyl]phenol
CID 12438317
4-Bromo-2-[(2-hydroxyethylamino)methyl]phenol
CID 39259702
2,4-Dibromo-6-[(2-hydroxyethylamino)-methyl]phenol
CID 39331449
4-Bromo-2-[1-[2-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43095797
4-Bromo-2-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43099245
4-Bromo-2-[1-[2-(2-fluorophenyl)ethylamino]propyl]phenol
CID 43101810
4-Bromo-2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43104393
4-Bromo-2-[1-[(3-fluorophenyl)methylamino]propyl]phenol
CID 43123237
4-Bromo-2-[1-[(4-fluorophenyl)methylamino]propyl]phenol
CID 43194846
4-Bromo-2-[1-[(2-fluorophenyl)methylamino]propyl]phenol
CID 43195257
4-Bromo-2-[1-[2-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43565917
4-Bromo-2-({[1-(4-fluorophenyl)ethyl]amino}methyl)phenol
CID 45030007

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol?
The IUPAC name of 2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol (CID 131483813) is 2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol.
What is the SMILES notation for 2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol?
The canonical SMILES for 2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol is Oc1c([C@@H]2COCCN2)ccc(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol?
The InChIKey is XIOCUTALPLBJFI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c11-9-7(12)2-1-6(10(9)14)8-5-15-4-3-13-8/h1-2,8,13-14H,3-5H2/t8-/m0/s1.
What are the key properties of 2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol?
2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol has a molecular weight of 276.11 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-6-[(3R)-morpholin-3-yl]phenol is sourced from PubChem (CID 131483813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).