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

C18H18FNO — CID 12733502

IUPAC2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]
SMILESFc1ccc(C2Oc3ccccc3C23CCNCC3)cc1
InChIInChI=1S/C18H18FNO/c19-14-7-5-13(6-8-14)17-18(9-11-20-12-10-18)15-3-1-2-4-16(15)21-17/h1-8,17,20H,9-12H2
InChIKeyRANLETREFFXNGA-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.58
Rot. Bonds1

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

2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine] (PubChem CID 12733502) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]
PubChem CID12733502
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]
SMILESFc1ccc(C2Oc3ccccc3C23CCNCC3)cc1
InChIInChI=1S/C18H18FNO/c19-14-7-5-13(6-8-14)17-18(9-11-20-12-10-18)15-3-1-2-4-16(15)21-17/h1-8,17,20H,9-12H2
InChIKeyRANLETREFFXNGA-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine] (CID 12733502) is 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine] is Fc1ccc(C2Oc3ccccc3C23CCNCC3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is RANLETREFFXNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-14-7-5-13(6-8-14)17-18(9-11-20-12-10-18)15-3-1-2-4-16(15)21-17/h1-8,17,20H,9-12H2.
What are the key properties of 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]?
2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 283.35 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 12733502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).