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

C21H24FNO2 — CID 71655456

IUPAC1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C21H24FNO2/c22-11-14-24-19-7-5-17(6-8-19)15-23-12-9-21(10-13-23)20-4-2-1-3-18(20)16-25-21/h1-8H,9-16H2
InChIKeyQRRJVIRIZGJWKM-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.06
Rot. Bonds5

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

1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 71655456) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID71655456
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C21H24FNO2/c22-11-14-24-19-7-5-17(6-8-19)15-23-12-9-21(10-13-23)20-4-2-1-3-18(20)16-25-21/h1-8H,9-16H2
InChIKeyQRRJVIRIZGJWKM-UHFFFAOYSA-N
XLogP4.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 71655456) is 1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is FCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1.
What is the InChIKey of 1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is QRRJVIRIZGJWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c22-11-14-24-19-7-5-17(6-8-19)15-23-12-9-21(10-13-23)20-4-2-1-3-18(20)16-25-21/h1-8H,9-16H2.
What are the key properties of 1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 341.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(2-fluoroethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 71655456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).