[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone

C17H15F3N2O — CID 113081228

IUPAC[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C17H15F3N2O/c18-13-5-2-1-4-12(13)17(23)22-10-8-21(9-11-22)16-14(19)6-3-7-15(16)20/h1-7H,8-11H2
InChIKeyIVBYHEJJKUFINK-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.07
Rot. Bonds2

About [4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone

[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 113081228) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is [4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID113081228
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C17H15F3N2O/c18-13-5-2-1-4-12(13)17(23)22-10-8-21(9-11-22)16-14(19)6-3-7-15(16)20/h1-7H,8-11H2
InChIKeyIVBYHEJJKUFINK-UHFFFAOYSA-N
XLogP3.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
(2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076410
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292349
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 113081241
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393
[3-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]thiourea
CID 50882733
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone (CID 113081228) is [4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is IVBYHEJJKUFINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c18-13-5-2-1-4-12(13)17(23)22-10-8-21(9-11-22)16-14(19)6-3-7-15(16)20/h1-7H,8-11H2.
What are the key properties of [4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 320.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 113081228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).