7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

C19H18FNO2 — CID 90701563

IUPAC7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCNCC2)c2ccc(F)c(Cc3ccccc3)c21
InChIInChI=1S/C19H18FNO2/c20-16-7-6-15-17(14(16)12-13-4-2-1-3-5-13)18(22)23-19(15)8-10-21-11-9-19/h1-7,21H,8-12H2
InChIKeyURBIPDBZPNECQH-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.17
Rot. Bonds2

About 7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 90701563) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID90701563
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCNCC2)c2ccc(F)c(Cc3ccccc3)c21
InChIInChI=1S/C19H18FNO2/c20-16-7-6-15-17(14(16)12-13-4-2-1-3-5-13)18(22)23-19(15)8-10-21-11-9-19/h1-7,21H,8-12H2
InChIKeyURBIPDBZPNECQH-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (CID 90701563) is 7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCNCC2)c2ccc(F)c(Cc3ccccc3)c21.
What is the InChIKey of 7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is URBIPDBZPNECQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-16-7-6-15-17(14(16)12-13-4-2-1-3-5-13)18(22)23-19(15)8-10-21-11-9-19/h1-7,21H,8-12H2.
What are the key properties of 7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 311.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 90701563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).