(2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one

C25H20F3NO2 — CID 139193544

IUPAC(2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2[C@]12C[C@H](c1ccccc1)O[C@H]2C(F)(F)F
InChIInChI=1S/C25H20F3NO2/c26-25(27,28)22-24(15-21(31-22)18-11-5-2-6-12-18)19-13-7-8-14-20(19)29(23(24)30)16-17-9-3-1-4-10-17/h1-14,21-22H,15-16H2/t21-,22-,24+/m1/s1
InChIKeyFEIUCAQUEQCCCM-AKFKNWHVSA-N
MW423.43 g/mol
LogP5.56
Rot. Bonds3

About (2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one

(2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one (PubChem CID 139193544) has the molecular formula C25H20F3NO2 and a molecular weight of 423.43 g/mol. Its IUPAC name is (2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one.

Molecular Properties

Compound Name(2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one
PubChem CID139193544
Molecular FormulaC25H20F3NO2
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC Name(2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2[C@]12C[C@H](c1ccccc1)O[C@H]2C(F)(F)F
InChIInChI=1S/C25H20F3NO2/c26-25(27,28)22-24(15-21(31-22)18-11-5-2-6-12-18)19-13-7-8-14-20(19)29(23(24)30)16-17-9-3-1-4-10-17/h1-14,21-22H,15-16H2/t21-,22-,24+/m1/s1
InChIKeyFEIUCAQUEQCCCM-AKFKNWHVSA-N
XLogP5.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-difluoro-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 11998468
Cmld-BU6191
CID 49858539
3-[4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]butyl]-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-1H-indol-2-one
CID 9962340
(3S)-3-[methoxy(phenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 134842097
(3S,3'S)-1-benzyl-3'-butyl-3'-(4-fluorophenyl)spiro[indole-3,4'-oxetane]-2,2'-dione
CID 134948972
(2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane
CID 139193542
(3S,3'S)-1-benzyl-3'-ethyl-5-fluoro-3'-phenylspiro[indole-3,4'-oxetane]-2,2'-dione
CID 164684137
(3S,3'S)-1-benzyl-3'-ethyl-3'-(2-fluorophenyl)spiro[indole-3,4'-oxetane]-2,2'-dione
CID 164686602
[(S)-[2-oxo-3,3-bis(trifluoromethyl)indol-1-yl]-phenylmethyl] 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 9510699
[2-oxo-3,3-bis(trifluoromethyl)-2,3-dihydro-1H-indol-1-yl](phenyl)methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 11836575
1-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-7-fluoro-3H-indol-2-one
CID 14624164
1-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-5-fluoro-3H-indol-2-one
CID 14624165

Frequently Asked Questions

What is the IUPAC name of (2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one?
The IUPAC name of (2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one (CID 139193544) is (2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one.
What is the SMILES notation for (2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one?
The canonical SMILES for (2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one is O=C1N(Cc2ccccc2)c2ccccc2[C@]12C[C@H](c1ccccc1)O[C@H]2C(F)(F)F.
What is the InChIKey of (2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one?
The InChIKey is FEIUCAQUEQCCCM-AKFKNWHVSA-N. The full InChI is InChI=1S/C25H20F3NO2/c26-25(27,28)22-24(15-21(31-22)18-11-5-2-6-12-18)19-13-7-8-14-20(19)29(23(24)30)16-17-9-3-1-4-10-17/h1-14,21-22H,15-16H2/t21-,22-,24+/m1/s1.
What are the key properties of (2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one?
(2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one has a molecular weight of 423.43 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one is sourced from PubChem (CID 139193544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).