1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]

C20H22FNO — CID 56840667

IUPAC1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C20H22FNO/c21-14-19-17-8-4-5-9-18(17)20(23-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2
InChIKeyXTXVTJGNOBELJF-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.22
Rot. Bonds3

About 1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]

1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 56840667) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is 1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID56840667
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C20H22FNO/c21-14-19-17-8-4-5-9-18(17)20(23-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2
InChIKeyXTXVTJGNOBELJF-UHFFFAOYSA-N
XLogP4.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine] (CID 56840667) is 1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine] is FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is XTXVTJGNOBELJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c21-14-19-17-8-4-5-9-18(17)20(23-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2.
What are the key properties of 1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 311.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-1-(fluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 56840667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).