2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol

C24H23F3N2O3 — CID 156815676

IUPAC2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol
SMILESOCCOc1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C24H23F3N2O3/c25-24(26,27)19-7-9-23(28-15-19)32-20-10-11-29(16-20)21-8-6-18(14-22(21)31-13-12-30)17-4-2-1-3-5-17/h1-9,14-15,20,30H,10-13,16H2/t20-/m0/s1
InChIKeySPMRIODQFMSGJU-FQEVSTJZSA-N
MW444.45 g/mol
LogP4.80
Rot. Bonds7

About 2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol

2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol (PubChem CID 156815676) has the molecular formula C24H23F3N2O3 and a molecular weight of 444.45 g/mol. Its IUPAC name is 2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol
PubChem CID156815676
Molecular FormulaC24H23F3N2O3
Molecular Weight444.45 g/mol
Exact Mass444.17
IUPAC Name2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol
SMILESOCCOc1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C24H23F3N2O3/c25-24(26,27)19-7-9-23(28-15-19)32-20-10-11-29(16-20)21-8-6-18(14-22(21)31-13-12-30)17-4-2-1-3-5-17/h1-9,14-15,20,30H,10-13,16H2/t20-/m0/s1
InChIKeySPMRIODQFMSGJU-FQEVSTJZSA-N
XLogP4.80
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol?
The IUPAC name of 2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol (CID 156815676) is 2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol?
The canonical SMILES for 2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol is OCCOc1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol?
The InChIKey is SPMRIODQFMSGJU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23F3N2O3/c25-24(26,27)19-7-9-23(28-15-19)32-20-10-11-29(16-20)21-8-6-18(14-22(21)31-13-12-30)17-4-2-1-3-5-17/h1-9,14-15,20,30H,10-13,16H2/t20-/m0/s1.
What are the key properties of 2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol?
2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol has a molecular weight of 444.45 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenoxy]ethanol is sourced from PubChem (CID 156815676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).