[(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol

C23H21F3N2O2 — CID 166004234

IUPAC[(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@@H](Oc2ccc(C(F)(F)F)cn2)CN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O2/c24-23(25,26)18-8-11-22(27-13-18)30-21-12-20(15-29)28(14-21)19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-11,13,20-21,29H,12,14-15H2/t20-,21+/m0/s1
InChIKeyBBFMTNOUNWWCBM-LEWJYISDSA-N
MW414.43 g/mol
LogP4.79
Rot. Bonds5

About [(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol

[(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol (PubChem CID 166004234) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is [(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol
PubChem CID166004234
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name[(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@@H](Oc2ccc(C(F)(F)F)cn2)CN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O2/c24-23(25,26)18-8-11-22(27-13-18)30-21-12-20(15-29)28(14-21)19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-11,13,20-21,29H,12,14-15H2/t20-,21+/m0/s1
InChIKeyBBFMTNOUNWWCBM-LEWJYISDSA-N
XLogP4.79
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

US9714221, Example 154
CID 130232819
US9714221, Example 153
CID 137194225
5-Benzyl-2-(2-pyrrolidin-1-yl-ethoxy)-pyridine
CID 10636648
(2R)-1,1,1-trifluoro-3-[3-(2-propan-2-yloxy-4-pyridinyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
CID 118014038
US9714221, Example 108
CID 130232786
US11149031, Example 237
CID 134520953
US11149031, Example 249
CID 134521099
US11149031, Example 241
CID 134521125
US9714221, Example 109
CID 137194219
[2-[[4-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]phenyl]boronic acid
CID 137650998
1,1,1-Trifluoro-3-((3-phenoxyphenyl)(3-(3-(trifluoromethyl)pyridin-2-yl)benzyl)amino)propan-2-ol
CID 23506009
1,1,1-Trifluoro-3-[(3-phenoxyphenyl)[3-(1-methyl-2-pyrrolyl)benzyl]amino]-2-propanol
CID 23506031

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol (CID 166004234) is [(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol is OC[C@@H]1C[C@@H](Oc2ccc(C(F)(F)F)cn2)CN1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol?
The InChIKey is BBFMTNOUNWWCBM-LEWJYISDSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c24-23(25,26)18-8-11-22(27-13-18)30-21-12-20(15-29)28(14-21)19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-11,13,20-21,29H,12,14-15H2/t20-,21+/m0/s1.
What are the key properties of [(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol?
[(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol has a molecular weight of 414.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-(4-phenylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 166004234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).