1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine

C12H15F3N2 — CID 83855536

IUPAC1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine
SMILESFc1cccc(C(F)(F)CN2CCNCC2)c1
InChIInChI=1S/C12H15F3N2/c13-11-3-1-2-10(8-11)12(14,15)9-17-6-4-16-5-7-17/h1-3,8,16H,4-7,9H2
InChIKeyXWCHZLPNWGEOSH-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.82
Rot. Bonds3

About 1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine

1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine (PubChem CID 83855536) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine
PubChem CID83855536
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine
SMILESFc1cccc(C(F)(F)CN2CCNCC2)c1
InChIInChI=1S/C12H15F3N2/c13-11-3-1-2-10(8-11)12(14,15)9-17-6-4-16-5-7-17/h1-3,8,16H,4-7,9H2
InChIKeyXWCHZLPNWGEOSH-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine 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-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445254
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
2-(3-fluorophenyl)-5-piperazin-1-yl-2-propan-2-ylpentanenitrile
CID 22393736
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 116840439
1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine
CID 11558854
1-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]piperazine
CID 116840464
ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate
CID 61002608
1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
CID 70952663
1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine
CID 82305165
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine?
The IUPAC name of 1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine (CID 83855536) is 1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine is Fc1cccc(C(F)(F)CN2CCNCC2)c1.
What is the InChIKey of 1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine?
The InChIKey is XWCHZLPNWGEOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-11-3-1-2-10(8-11)12(14,15)9-17-6-4-16-5-7-17/h1-3,8,16H,4-7,9H2.
What are the key properties of 1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine?
1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine has a molecular weight of 244.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-2-(3-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 83855536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).