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

C10H12ClFN2O — CID 171259662

IUPAC2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol
SMILESOc1c([C@@H]2CNCCN2)ccc(F)c1Cl
InChIInChI=1S/C10H12ClFN2O/c11-9-7(12)2-1-6(10(9)15)8-5-13-3-4-14-8/h1-2,8,13-15H,3-5H2/t8-/m0/s1
InChIKeyAOXVPTPVFLRYAI-QMMMGPOBSA-N
MW230.67 g/mol
LogP1.42
Rot. Bonds1

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

2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol (PubChem CID 171259662) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol
PubChem CID171259662
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol
SMILESOc1c([C@@H]2CNCCN2)ccc(F)c1Cl
InChIInChI=1S/C10H12ClFN2O/c11-9-7(12)2-1-6(10(9)15)8-5-13-3-4-14-8/h1-2,8,13-15H,3-5H2/t8-/m0/s1
InChIKeyAOXVPTPVFLRYAI-QMMMGPOBSA-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'}

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Related Compounds

2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride
CID 171194348
3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol
CID 171259613
2-iodo-6-[(2S)-piperazin-2-yl]phenol
CID 130640964
(2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine
CID 86317470
(2R)-2-(3-fluoro-2-methylphenyl)piperazine
CID 131101116
(2S)-2-(3-fluoro-2-methylphenyl)piperazine
CID 55264820
2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol
CID 171259694
4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
CID 171193580
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193872
(2S)-2-(2,6-dichloro-3-pyridinyl)piperazine
CID 131093662
3-fluoro-4-hydroxy-5-[(2R)-piperazin-2-yl]benzoic acid
CID 171259706
4-bromo-2,3-difluoro-6-[(2S)-piperazin-2-yl]phenol
CID 131292726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol?
The IUPAC name of 2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol (CID 171259662) is 2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol.
What is the SMILES notation for 2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol?
The canonical SMILES for 2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol is Oc1c([C@@H]2CNCCN2)ccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol?
The InChIKey is AOXVPTPVFLRYAI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-9-7(12)2-1-6(10(9)15)8-5-13-3-4-14-8/h1-2,8,13-15H,3-5H2/t8-/m0/s1.
What are the key properties of 2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol?
2-chloro-3-fluoro-6-[(2R)-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 2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol is sourced from PubChem (CID 171259662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).