2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine

C22H19F3N2O — CID 156814535

IUPAC2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(O[C@H]2CCN(c3ccccc3-c3ccccc3)C2)nc1
InChIInChI=1S/C22H19F3N2O/c23-22(24,25)17-10-11-21(26-14-17)28-18-12-13-27(15-18)20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-11,14,18H,12-13,15H2/t18-/m0/s1
InChIKeyIZQCDFIVRACVCH-SFHVURJKSA-N
MW384.40 g/mol
LogP5.43
Rot. Bonds4

About 2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine

2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 156814535) has the molecular formula C22H19F3N2O and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
PubChem CID156814535
Molecular FormulaC22H19F3N2O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(O[C@H]2CCN(c3ccccc3-c3ccccc3)C2)nc1
InChIInChI=1S/C22H19F3N2O/c23-22(24,25)17-10-11-21(26-14-17)28-18-12-13-27(15-18)20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-11,14,18H,12-13,15H2/t18-/m0/s1
InChIKeyIZQCDFIVRACVCH-SFHVURJKSA-N
XLogP5.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine (CID 156814535) is 2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(O[C@H]2CCN(c3ccccc3-c3ccccc3)C2)nc1.
What is the InChIKey of 2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The InChIKey is IZQCDFIVRACVCH-SFHVURJKSA-N. The full InChI is InChI=1S/C22H19F3N2O/c23-22(24,25)17-10-11-21(26-14-17)28-18-12-13-27(15-18)20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-11,14,18H,12-13,15H2/t18-/m0/s1.
What are the key properties of 2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine has a molecular weight of 384.40 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 156814535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).