[4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

C24H22F2N6O2 — CID 3209833

About [4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 3209833) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
• PubChem CID: 3209833
• Molecular Formula: C24H22F2N6O2
• Molecular Weight: 464.48 g/mol
• Exact Mass: 464.18
• IUPAC Name: [4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
• SMILES: O=C(c1ccco1)N1CCN(C(c2ccc(F)cc2)c2nnnn2Cc2ccc(F)cc2)CC1
• InChI: InChI=1S/C24H22F2N6O2/c25-19-7-3-17(4-8-19)16-32-23(27-28-29-32)22(18-5-9-20(26)10-6-18)30-11-13-31(14-12-30)24(33)21-2-1-15-34-21/h1-10,15,22H,11-14,16H2
• InChIKey: JRRLIIBQESJHGD-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.48
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?

The IUPAC name of [4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 3209833) is [4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

What is the SMILES notation for [4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?

The canonical SMILES for [4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(C(c2ccc(F)cc2)c2nnnn2Cc2ccc(F)cc2)CC1.

What is the InChIKey of [4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?

The InChIKey is JRRLIIBQESJHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c25-19-7-3-17(4-8-19)16-32-23(27-28-29-32)22(18-5-9-20(26)10-6-18)30-11-13-31(14-12-30)24(33)21-2-1-15-34-21/h1-10,15,22H,11-14,16H2.

What are the key properties of [4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?

[4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 464.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 3209833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).