2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol

C11H12F3NO2 — CID 171196437

IUPAC2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
SMILESOc1ccc(OC(F)(F)F)cc1[C@@H]1CCCN1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-7-3-4-10(16)8(6-7)9-2-1-5-15-9/h3-4,6,9,15-16H,1-2,5H2/t9-/m0/s1
InChIKeyPWNRHELTFSWAGF-VIFPVBQESA-N
MW247.22 g/mol
LogP2.72
Rot. Bonds2

About 2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol

2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol (PubChem CID 171196437) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
PubChem CID171196437
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
SMILESOc1ccc(OC(F)(F)F)cc1[C@@H]1CCCN1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-7-3-4-10(16)8(6-7)9-2-1-5-15-9/h3-4,6,9,15-16H,1-2,5H2/t9-/m0/s1
InChIKeyPWNRHELTFSWAGF-VIFPVBQESA-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

(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine
CID 171195260
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195261
(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171196000
(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196183
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
(4R)-4-[2-hydroxy-5-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 171252592
2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine
CID 21364515
2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol
CID 171259764
4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol
CID 66519378
4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol
CID 84677007

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol (CID 171196437) is 2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol is Oc1ccc(OC(F)(F)F)cc1[C@@H]1CCCN1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol?
The InChIKey is PWNRHELTFSWAGF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)17-7-3-4-10(16)8(6-7)9-2-1-5-15-9/h3-4,6,9,15-16H,1-2,5H2/t9-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol?
2-[(2S)-pyrrolidin-2-yl]-4-(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-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 171196437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).