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

C20H21F2NO — CID 57392003

IUPAC1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C20H21F2NO/c21-13-19-17-3-1-2-4-18(17)20(24-19)9-11-23(12-10-20)14-15-5-7-16(22)8-6-15/h1-8,19H,9-14H2
InChIKeyIBFFGCSUILIKLO-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.36
Rot. Bonds3

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

1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 57392003) has the molecular formula C20H21F2NO and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID57392003
Molecular FormulaC20H21F2NO
Molecular Weight329.39 g/mol
Exact Mass329.16
IUPAC Name1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C20H21F2NO/c21-13-19-17-3-1-2-4-18(17)20(24-19)9-11-23(12-10-20)14-15-5-7-16(22)8-6-15/h1-8,19H,9-14H2
InChIKeyIBFFGCSUILIKLO-UHFFFAOYSA-N
XLogP4.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 57392003) is 1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is FCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is IBFFGCSUILIKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO/c21-13-19-17-3-1-2-4-18(17)20(24-19)9-11-23(12-10-20)14-15-5-7-16(22)8-6-15/h1-8,19H,9-14H2.
What are the key properties of 1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 329.39 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 57392003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).