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

C24H23F3N2O2 — CID 170313406

IUPAC1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol
SMILESCC(O)c1cc(-c2ccccc2)ccc1N1CCC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C24H23F3N2O2/c1-16(30)21-13-18(17-5-3-2-4-6-17)7-9-22(21)29-12-11-20(15-29)31-23-10-8-19(14-28-23)24(25,26)27/h2-10,13-14,16,20,30H,11-12,15H2,1H3
InChIKeyVERSLEQYIZJINO-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.48
Rot. Bonds5

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

1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol (PubChem CID 170313406) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is 1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol
PubChem CID170313406
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol
SMILESCC(O)c1cc(-c2ccccc2)ccc1N1CCC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C24H23F3N2O2/c1-16(30)21-13-18(17-5-3-2-4-6-17)7-9-22(21)29-12-11-20(15-29)31-23-10-8-19(14-28-23)24(25,26)27/h2-10,13-14,16,20,30H,11-12,15H2,1H3
InChIKeyVERSLEQYIZJINO-UHFFFAOYSA-N
XLogP5.48
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]aniline
CID 175337456
[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol
CID 167556214
5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide
CID 166004444
2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 175576181
5-(2-methylphenyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile
CID 170313355
5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 156814447
[4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol
CID 156814470
[6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
CID 166683249
5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 166004223
[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
CID 166070002
1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
CID 133446287
2-[3-(hydroxymethyl)-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]-N,N-dimethylbenzamide
CID 156815285

Frequently Asked Questions

What is the IUPAC name of 1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol?
The IUPAC name of 1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol (CID 170313406) is 1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol.
What is the SMILES notation for 1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol?
The canonical SMILES for 1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol is CC(O)c1cc(-c2ccccc2)ccc1N1CCC(Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol?
The InChIKey is VERSLEQYIZJINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c1-16(30)21-13-18(17-5-3-2-4-6-17)7-9-22(21)29-12-11-20(15-29)31-23-10-8-19(14-28-23)24(25,26)27/h2-10,13-14,16,20,30H,11-12,15H2,1H3.
What are the key properties of 1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol?
1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol has a molecular weight of 428.45 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 170313406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).