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

C18H26FNO — CID 53321734

IUPAC1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCCCCN1CCC2(CC1)OC(CCF)c1ccccc12
InChIInChI=1S/C18H26FNO/c1-2-3-12-20-13-9-18(10-14-20)16-7-5-4-6-15(16)17(21-18)8-11-19/h4-7,17H,2-3,8-14H2,1H3
InChIKeyPYPARTUORPDWGN-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.21
Rot. Bonds5

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

1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 53321734) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID53321734
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCCCCN1CCC2(CC1)OC(CCF)c1ccccc12
InChIInChI=1S/C18H26FNO/c1-2-3-12-20-13-9-18(10-14-20)16-7-5-4-6-15(16)17(21-18)8-11-19/h4-7,17H,2-3,8-14H2,1H3
InChIKeyPYPARTUORPDWGN-UHFFFAOYSA-N
XLogP4.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine] (CID 53321734) is 1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine] is CCCCN1CCC2(CC1)OC(CCF)c1ccccc12.
What is the InChIKey of 1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is PYPARTUORPDWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-2-3-12-20-13-9-18(10-14-20)16-7-5-4-6-15(16)17(21-18)8-11-19/h4-7,17H,2-3,8-14H2,1H3.
What are the key properties of 1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 291.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butyl-1-(2-fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 53321734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).