1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine]

C19H18F3NO — CID 68557532

IUPAC1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine]
SMILESFC(F)(F)c1ccc2c(c1)OCC21CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H18F3NO/c20-19(21,22)15-6-7-16-17(10-15)24-13-18(16)8-9-23(12-18)11-14-4-2-1-3-5-14/h1-7,10H,8-9,11-13H2
InChIKeyNSHJFSBQSJMVHZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.24
Rot. Bonds2

About 1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine]

1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine] (PubChem CID 68557532) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine].

Molecular Properties

Compound Name1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine]
PubChem CID68557532
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine]
SMILESFC(F)(F)c1ccc2c(c1)OCC21CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H18F3NO/c20-19(21,22)15-6-7-16-17(10-15)24-13-18(16)8-9-23(12-18)11-14-4-2-1-3-5-14/h1-7,10H,8-9,11-13H2
InChIKeyNSHJFSBQSJMVHZ-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine]?
The IUPAC name of 1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine] (CID 68557532) is 1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine].
What is the SMILES notation for 1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine]?
The canonical SMILES for 1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine] is FC(F)(F)c1ccc2c(c1)OCC21CCN(Cc2ccccc2)C1.
What is the InChIKey of 1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine]?
The InChIKey is NSHJFSBQSJMVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c20-19(21,22)15-6-7-16-17(10-15)24-13-18(16)8-9-23(12-18)11-14-4-2-1-3-5-14/h1-7,10H,8-9,11-13H2.
What are the key properties of 1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine]?
1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine] has a molecular weight of 333.35 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine] is sourced from PubChem (CID 68557532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).