(1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]

C19H20FNO — CID 129405189

IUPAC(1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCN1CCC2(CC1)O[C@H](c1ccccc1)c1ccc(F)cc12
InChIInChI=1S/C19H20FNO/c1-21-11-9-19(10-12-21)17-13-15(20)7-8-16(17)18(22-19)14-5-3-2-4-6-14/h2-8,13,18H,9-12H2,1H3/t18-/m1/s1
InChIKeyVIZGADDGVICNRY-GOSISDBHSA-N
MW297.37 g/mol
LogP3.87
Rot. Bonds1

About (1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]

(1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 129405189) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name(1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID129405189
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCN1CCC2(CC1)O[C@H](c1ccccc1)c1ccc(F)cc12
InChIInChI=1S/C19H20FNO/c1-21-11-9-19(10-12-21)17-13-15(20)7-8-16(17)18(22-19)14-5-3-2-4-6-14/h2-8,13,18H,9-12H2,1H3/t18-/m1/s1
InChIKeyVIZGADDGVICNRY-GOSISDBHSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of (1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine] (CID 129405189) is (1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for (1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for (1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine] is CN1CCC2(CC1)O[C@H](c1ccccc1)c1ccc(F)cc12.
What is the InChIKey of (1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is VIZGADDGVICNRY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20FNO/c1-21-11-9-19(10-12-21)17-13-15(20)7-8-16(17)18(22-19)14-5-3-2-4-6-14/h2-8,13,18H,9-12H2,1H3/t18-/m1/s1.
What are the key properties of (1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]?
(1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 297.37 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 129405189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).