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

C21H23F2NO — CID 53323057

IUPAC1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFCCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H23F2NO/c22-12-9-20-18-3-1-2-4-19(18)21(25-20)10-13-24(14-11-21)15-16-5-7-17(23)8-6-16/h1-8,20H,9-15H2
InChIKeyVMHRVUVGXYYBON-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.75
Rot. Bonds4

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

1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 53323057) has the molecular formula C21H23F2NO and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID53323057
Molecular FormulaC21H23F2NO
Molecular Weight343.42 g/mol
Exact Mass343.17
IUPAC Name1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFCCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H23F2NO/c22-12-9-20-18-3-1-2-4-19(18)21(25-20)10-13-24(14-11-21)15-16-5-7-17(23)8-6-16/h1-8,20H,9-15H2
InChIKeyVMHRVUVGXYYBON-UHFFFAOYSA-N
XLogP4.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 10091491
CID 10091491
CID 3929516
CID 3929516
CID 70593
CID 70593
CID 121506
CID 121506
CID 72792768
CID 72792768
CID 10019485
CID 10019485
CID 10041768
CID 10041768
CID 10245905
CID 10245905
CID 10266413
CID 10266413
CID 10315820
CID 10315820
CID 10359602
CID 10359602
CID 10380513
CID 10380513

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 53323057) is 1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is FCCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is VMHRVUVGXYYBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO/c22-12-9-20-18-3-1-2-4-19(18)21(25-20)10-13-24(14-11-21)15-16-5-7-17(23)8-6-16/h1-8,20H,9-15H2.
What are the key properties of 1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 343.42 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-1'-[(4-fluorophenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 53323057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).