3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol

C10H12ClFN2O — CID 171259613

IUPAC3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol
SMILESOc1c(F)ccc(Cl)c1[C@H]1CNCCN1
InChIInChI=1S/C10H12ClFN2O/c11-6-1-2-7(12)10(15)9(6)8-5-13-3-4-14-8/h1-2,8,13-15H,3-5H2/t8-/m1/s1
InChIKeyCOUSGGVEBBNRJD-MRVPVSSYSA-N
MW230.67 g/mol
LogP1.42
Rot. Bonds1

About 3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol

3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol (PubChem CID 171259613) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol.

Molecular Properties

Compound Name3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol
PubChem CID171259613
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol
SMILESOc1c(F)ccc(Cl)c1[C@H]1CNCCN1
InChIInChI=1S/C10H12ClFN2O/c11-6-1-2-7(12)10(15)9(6)8-5-13-3-4-14-8/h1-2,8,13-15H,3-5H2/t8-/m1/s1
InChIKeyCOUSGGVEBBNRJD-MRVPVSSYSA-N
XLogP1.42
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol?
The IUPAC name of 3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol (CID 171259613) is 3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol.
What is the SMILES notation for 3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol?
The canonical SMILES for 3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol is Oc1c(F)ccc(Cl)c1[C@H]1CNCCN1.
What is the InChIKey of 3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol?
The InChIKey is COUSGGVEBBNRJD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-6-1-2-7(12)10(15)9(6)8-5-13-3-4-14-8/h1-2,8,13-15H,3-5H2/t8-/m1/s1.
What are the key properties of 3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol?
3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol has a molecular weight of 230.67 g/mol, XLogP of 1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol is sourced from PubChem (CID 171259613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).