(3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

C19H16FNO3 — CID 99882985

IUPAC(3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1O[C@]2(CCCN(C(=O)c3ccccc3F)C2)c2ccccc21
InChIInChI=1S/C19H16FNO3/c20-16-9-4-2-7-14(16)17(22)21-11-5-10-19(12-21)15-8-3-1-6-13(15)18(23)24-19/h1-4,6-9H,5,10-12H2/t19-/m0/s1
InChIKeyQVWHZAAYLDQXNC-IBGZPJMESA-N
MW325.34 g/mol
LogP3.13
Rot. Bonds1

About (3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

(3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 99882985) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is (3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID99882985
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name(3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1O[C@]2(CCCN(C(=O)c3ccccc3F)C2)c2ccccc21
InChIInChI=1S/C19H16FNO3/c20-16-9-4-2-7-14(16)17(22)21-11-5-10-19(12-21)15-8-3-1-6-13(15)18(23)24-19/h1-4,6-9H,5,10-12H2/t19-/m0/s1
InChIKeyQVWHZAAYLDQXNC-IBGZPJMESA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of (3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 99882985) is (3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for (3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for (3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1O[C@]2(CCCN(C(=O)c3ccccc3F)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is QVWHZAAYLDQXNC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16FNO3/c20-16-9-4-2-7-14(16)17(22)21-11-5-10-19(12-21)15-8-3-1-6-13(15)18(23)24-19/h1-4,6-9H,5,10-12H2/t19-/m0/s1.
What are the key properties of (3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
(3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 325.34 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(2-fluorobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 99882985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).