1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride

C12H15BrClF3N2 — CID 171178570

IUPAC1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)[C@@H](c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C12H14BrF3N2.ClH/c13-10-3-1-9(2-4-10)11(12(14,15)16)18-7-5-17-6-8-18;/h1-4,11,17H,5-8H2;1H/t11-;/m1./s1
InChIKeyGWUBSRJZHMRYSQ-RFVHGSKJSA-N
MW359.62 g/mol
LogP3.38
Rot. Bonds2

About 1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride

1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride (PubChem CID 171178570) has the molecular formula C12H15BrClF3N2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
PubChem CID171178570
Molecular FormulaC12H15BrClF3N2
Molecular Weight359.62 g/mol
Exact Mass358.01
IUPAC Name1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)[C@@H](c1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C12H14BrF3N2.ClH/c13-10-3-1-9(2-4-10)11(12(14,15)16)18-7-5-17-6-8-18;/h1-4,11,17H,5-8H2;1H/t11-;/m1./s1
InChIKeyGWUBSRJZHMRYSQ-RFVHGSKJSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285937
1-[(1S)-2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethyl]piperazine;hydrochloride
CID 171177666
1-[(1S)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163089
1-[(1R)-1-(3-bromo-4-chlorophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171179093
1-[(1R)-2,2,2-trifluoro-1-(4-methylsulfonylphenyl)ethyl]piperazine;hydrochloride
CID 171178302
1-[(1R)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171180299
1-[(1S)-2,2,2-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171295848
1-[(1R)-1-(3-bromo-4-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179212
1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine
CID 171179796
1-[(1S)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171287544
trimethyl-[4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenoxy]silane;hydrochloride
CID 171176581
4-bromo-2-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285491

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride (CID 171178570) is 1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride is Cl.FC(F)(F)[C@@H](c1ccc(Br)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride?
The InChIKey is GWUBSRJZHMRYSQ-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H14BrF3N2.ClH/c13-10-3-1-9(2-4-10)11(12(14,15)16)18-7-5-17-6-8-18;/h1-4,11,17H,5-8H2;1H/t11-;/m1./s1.
What are the key properties of 1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride?
1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride has a molecular weight of 359.62 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride is sourced from PubChem (CID 171178570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).