1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride

C12H17BrCl2F2N2 — CID 171273311

IUPAC1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)[C@@H](c1cccc(Br)c1)N1CCNCC1
InChIInChI=1S/C12H15BrF2N2.2ClH/c13-10-3-1-2-9(8-10)11(12(14)15)17-6-4-16-5-7-17;;/h1-3,8,11-12,16H,4-7H2;2*1H/t11-;;/m1../s1
InChIKeyFIFSWHYBPTZIIR-NVJADKKVSA-N
MW378.09 g/mol
LogP3.50
Rot. Bonds3

About 1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride

1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride (PubChem CID 171273311) has the molecular formula C12H17BrCl2F2N2 and a molecular weight of 378.09 g/mol. Its IUPAC name is 1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
PubChem CID171273311
Molecular FormulaC12H17BrCl2F2N2
Molecular Weight378.09 g/mol
Exact Mass375.99
IUPAC Name1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)[C@@H](c1cccc(Br)c1)N1CCNCC1
InChIInChI=1S/C12H15BrF2N2.2ClH/c13-10-3-1-2-9(8-10)11(12(14)15)17-6-4-16-5-7-17;;/h1-3,8,11-12,16H,4-7H2;2*1H/t11-;;/m1../s1
InChIKeyFIFSWHYBPTZIIR-NVJADKKVSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride 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

1-[(1S)-1-(3,5-dibromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171295338
3-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285431
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
1-[(1S)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285937
1-[(1S)-2,2-difluoro-1-(3-nitrophenyl)ethyl]piperazine;dihydrochloride
CID 171285033
1-[(1S)-1-(4-bromo-3-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171287859
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273335
1-[(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171293140
4-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171272474
1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine
CID 171283601
1-[(1S)-2,2-difluoro-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285864
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171290688

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride (CID 171273311) is 1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride is Cl.Cl.FC(F)[C@@H](c1cccc(Br)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The InChIKey is FIFSWHYBPTZIIR-NVJADKKVSA-N. The full InChI is InChI=1S/C12H15BrF2N2.2ClH/c13-10-3-1-2-9(8-10)11(12(14)15)17-6-4-16-5-7-17;;/h1-3,8,11-12,16H,4-7H2;2*1H/t11-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride has a molecular weight of 378.09 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-bromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171273311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).