2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol

C10H12BrFN2O — CID 131254782

IUPAC2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol
SMILESOc1c(Br)cc(F)cc1[C@@H]1CNCCN1
InChIInChI=1S/C10H12BrFN2O/c11-8-4-6(12)3-7(10(8)15)9-5-13-1-2-14-9/h3-4,9,13-15H,1-2,5H2/t9-/m0/s1
InChIKeyZUCIFMLZIGCSDC-VIFPVBQESA-N
MW275.12 g/mol
LogP1.53
Rot. Bonds1

About 2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol

2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol (PubChem CID 131254782) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol
PubChem CID131254782
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol
SMILESOc1c(Br)cc(F)cc1[C@@H]1CNCCN1
InChIInChI=1S/C10H12BrFN2O/c11-8-4-6(12)3-7(10(8)15)9-5-13-1-2-14-9/h3-4,9,13-15H,1-2,5H2/t9-/m0/s1
InChIKeyZUCIFMLZIGCSDC-VIFPVBQESA-N
XLogP1.53
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol?
The IUPAC name of 2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol (CID 131254782) is 2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol.
What is the SMILES notation for 2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol?
The canonical SMILES for 2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol is Oc1c(Br)cc(F)cc1[C@@H]1CNCCN1.
What is the InChIKey of 2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol?
The InChIKey is ZUCIFMLZIGCSDC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12BrFN2O/c11-8-4-6(12)3-7(10(8)15)9-5-13-1-2-14-9/h3-4,9,13-15H,1-2,5H2/t9-/m0/s1.
What are the key properties of 2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol?
2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol has a molecular weight of 275.12 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-[(2R)-piperazin-2-yl]phenol is sourced from PubChem (CID 131254782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).