2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol

C11H12F3NO2 — CID 171259764

IUPAC2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol
SMILESOc1c(OC(F)(F)F)cccc1[C@H]1CCCN1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-9-5-1-3-7(10(9)16)8-4-2-6-15-8/h1,3,5,8,15-16H,2,4,6H2/t8-/m1/s1
InChIKeyVPHCCYUDRFQGNT-MRVPVSSYSA-N
MW247.22 g/mol
LogP2.72
Rot. Bonds2

About 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol

2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol (PubChem CID 171259764) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol
PubChem CID171259764
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol
SMILESOc1c(OC(F)(F)F)cccc1[C@H]1CCCN1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-9-5-1-3-7(10(9)16)8-4-2-6-15-8/h1,3,5,8,15-16H,2,4,6H2/t8-/m1/s1
InChIKeyVPHCCYUDRFQGNT-MRVPVSSYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.72
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-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol
CID 171259694
2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
CID 131597321
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine
CID 171195993
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol
CID 55263489
(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196183
2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 77131807

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol?
The IUPAC name of 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol (CID 171259764) is 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol?
The canonical SMILES for 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol is Oc1c(OC(F)(F)F)cccc1[C@H]1CCCN1.
What is the InChIKey of 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol?
The InChIKey is VPHCCYUDRFQGNT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)17-9-5-1-3-7(10(9)16)8-4-2-6-15-8/h1,3,5,8,15-16H,2,4,6H2/t8-/m1/s1.
What are the key properties of 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol?
2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol has a molecular weight of 247.22 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol is sourced from PubChem (CID 171259764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).