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

C10H11BrFNO2 — CID 131522958

IUPAC6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
SMILESOc1c(Br)ccc(F)c1[C@@H]1COCCN1
InChIInChI=1S/C10H11BrFNO2/c11-6-1-2-7(12)9(10(6)14)8-5-15-4-3-13-8/h1-2,8,13-14H,3-5H2/t8-/m0/s1
InChIKeyOKTICILVBLOTKG-QMMMGPOBSA-N
MW276.10 g/mol
LogP1.95
Rot. Bonds1

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

6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol (PubChem CID 131522958) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.10 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
PubChem CID131522958
Molecular FormulaC10H11BrFNO2
Molecular Weight276.10 g/mol
Exact Mass275.00
IUPAC Name6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
SMILESOc1c(Br)ccc(F)c1[C@@H]1COCCN1
InChIInChI=1S/C10H11BrFNO2/c11-6-1-2-7(12)9(10(6)14)8-5-15-4-3-13-8/h1-2,8,13-14H,3-5H2/t8-/m0/s1
InChIKeyOKTICILVBLOTKG-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 ≤ 500276.10
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

6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol
CID 131447436
3-bromo-6-methyl-2-morpholin-3-ylphenol
CID 84809565
(3R)-3-(2-chloro-3,6-difluorophenyl)morpholine
CID 97291243
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
CID 131546881
(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
CID 171193198
(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
CID 171192935
4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol
CID 131514862
(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
CID 171193285
3-fluoro-2-morpholin-3-ylbenzoic acid
CID 154430314
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
3-fluoro-4-morpholin-3-ylphenol
CID 55271299

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol?
The IUPAC name of 6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol (CID 131522958) is 6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol.
What is the SMILES notation for 6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol?
The canonical SMILES for 6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol is Oc1c(Br)ccc(F)c1[C@@H]1COCCN1.
What is the InChIKey of 6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol?
The InChIKey is OKTICILVBLOTKG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c11-6-1-2-7(12)9(10(6)14)8-5-15-4-3-13-8/h1-2,8,13-14H,3-5H2/t8-/m0/s1.
What are the key properties of 6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol?
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol has a molecular weight of 276.10 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 6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol is sourced from PubChem (CID 131522958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).