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

C10H11BrFNO2 — CID 131514862

IUPAC4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol
SMILESOc1c(F)cc(Br)cc1[C@H]1COCCN1
InChIInChI=1S/C10H11BrFNO2/c11-6-3-7(10(14)8(12)4-6)9-5-15-2-1-13-9/h3-4,9,13-14H,1-2,5H2/t9-/m1/s1
InChIKeyLGSOJYQUWCFCHQ-SECBINFHSA-N
MW276.11 g/mol
LogP1.95
Rot. Bonds1

About 4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol

4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol (PubChem CID 131514862) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol
PubChem CID131514862
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol
SMILESOc1c(F)cc(Br)cc1[C@H]1COCCN1
InChIInChI=1S/C10H11BrFNO2/c11-6-3-7(10(14)8(12)4-6)9-5-15-2-1-13-9/h3-4,9,13-14H,1-2,5H2/t9-/m1/s1
InChIKeyLGSOJYQUWCFCHQ-SECBINFHSA-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

2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192443
4-bromo-2-[(3R)-morpholin-3-yl]-6-(trifluoromethyl)phenol
CID 171259729
(3S)-3-(4-bromo-2-fluorophenyl)morpholine
CID 130618619
(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
CID 171193198
4,5-difluoro-2-morpholin-3-ylphenol
CID 84783766
4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251
3-fluoro-4-morpholin-3-ylphenol
CID 55271299
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
CID 131522958
(3S)-3-(3-bromo-5-fluorophenyl)morpholine
CID 130605575
3-(3,5-dibromophenyl)morpholine
CID 126971173
5-fluoro-2-[(3S)-morpholin-3-yl]phenol
CID 55262699
2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol
CID 131483817

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol?
The IUPAC name of 4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol (CID 131514862) is 4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol.
What is the SMILES notation for 4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol?
The canonical SMILES for 4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol is Oc1c(F)cc(Br)cc1[C@H]1COCCN1.
What is the InChIKey of 4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol?
The InChIKey is LGSOJYQUWCFCHQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c11-6-3-7(10(14)8(12)4-6)9-5-15-2-1-13-9/h3-4,9,13-14H,1-2,5H2/t9-/m1/s1.
What are the key properties of 4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol?
4-bromo-2-fluoro-6-[(3S)-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 4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol is sourced from PubChem (CID 131514862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).