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

C26H22Cl2F3NO2 — CID 139193542

IUPAC(2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane
SMILESClCCl.O=C1N(Cc2ccccc2)c2ccccc2[C@]12C[C@@H](c1ccccc1)O[C@H]2C(F)(F)F
InChIInChI=1S/C25H20F3NO2.CH2Cl2/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;2-1-3/h1-14,21-22H,15-16H2;1H2/t21-,22+,24-;/m0./s1
InChIKeyHCEPEKRWZRDPJD-USZKATPWSA-N
MW508.37 g/mol
LogP6.99
Rot. Bonds3

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

(2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane (PubChem CID 139193542) has the molecular formula C26H22Cl2F3NO2 and a molecular weight of 508.37 g/mol. Its IUPAC name is (2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane.

Molecular Properties

Compound Name(2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane
PubChem CID139193542
Molecular FormulaC26H22Cl2F3NO2
Molecular Weight508.37 g/mol
Exact Mass507.10
IUPAC Name(2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane
SMILESClCCl.O=C1N(Cc2ccccc2)c2ccccc2[C@]12C[C@@H](c1ccccc1)O[C@H]2C(F)(F)F
InChIInChI=1S/C25H20F3NO2.CH2Cl2/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;2-1-3/h1-14,21-22H,15-16H2;1H2/t21-,22+,24-;/m0./s1
InChIKeyHCEPEKRWZRDPJD-USZKATPWSA-N
XLogP6.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.37
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[methoxy(phenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 134842097
(2'R,3S,5'R)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one
CID 139193544
1'-[(4-fluorophenyl)methyl]-5,6-dihydroxyspiro[5,6-dihydro-2H-1-benzofuran-3,3'-indole]-2'-one
CID 68096126
5-fluoro-1'-pentylspiro[5,6-dihydro-2H-1-benzofuran-3,3'-indole]-2'-one
CID 68345954
1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[3,5a,7,8a-tetrahydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 77441881
1'-[2-[(4-fluorophenyl)methoxy]propyl]-5-methyl-4-[(2-methylideneoxolan-3-ylidene)methyl]spiro[2H-furan-3,3'-indole]-2'-one
CID 91366898
1'-benzhydryl-5-fluorospiro[7,7a-dihydro-2H-1-benzofuran-3,3'-indole]-2'-one
CID 164150348
(3R)-1-benzyl-3-[(1R)-1-phenylmethoxyprop-2-enyl]-3-(4-phenylphenyl)indol-2-one
CID 134945298
(3R)-1-benzyl-3-(2-methylphenyl)-3-[(1R)-1-phenylmethoxyprop-2-enyl]indol-2-one
CID 134945301
(3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one
CID 139116832
tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate
CID 166449197
CID 168327757
CID 168327757

Frequently Asked Questions

What is the IUPAC name of (2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane?
The IUPAC name of (2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane (CID 139193542) is (2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane.
What is the SMILES notation for (2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane?
The canonical SMILES for (2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane is ClCCl.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'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane?
The InChIKey is HCEPEKRWZRDPJD-USZKATPWSA-N. The full InChI is InChI=1S/C25H20F3NO2.CH2Cl2/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;2-1-3/h1-14,21-22H,15-16H2;1H2/t21-,22+,24-;/m0./s1.
What are the key properties of (2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane?
(2'R,3S,5'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane has a molecular weight of 508.37 g/mol, XLogP of 6.99, 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'S)-1-benzyl-5'-phenyl-2'-(trifluoromethyl)spiro[indole-3,3'-oxolane]-2-one;dichloromethane is sourced from PubChem (CID 139193542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).