1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride

C10H13Br2Cl2F3N2S — CID 171283711

IUPAC1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)[C@@H](c1cc(Br)c(Br)s1)N1CCNCC1
InChIInChI=1S/C10H11Br2F3N2S.2ClH/c11-6-5-7(18-9(6)12)8(10(13,14)15)17-3-1-16-2-4-17;;/h5,8,16H,1-4H2;2*1H/t8-;;/m1../s1
InChIKeyWSQBYIHRGWTUFB-YCBDHFTFSA-N
MW481.00 g/mol
LogP4.63
Rot. Bonds2

About 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride

1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride (PubChem CID 171283711) has the molecular formula C10H13Br2Cl2F3N2S and a molecular weight of 481.00 g/mol. Its IUPAC name is 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
PubChem CID171283711
Molecular FormulaC10H13Br2Cl2F3N2S
Molecular Weight481.00 g/mol
Exact Mass477.85
IUPAC Name1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)[C@@H](c1cc(Br)c(Br)s1)N1CCNCC1
InChIInChI=1S/C10H11Br2F3N2S.2ClH/c11-6-5-7(18-9(6)12)8(10(13,14)15)17-3-1-16-2-4-17;;/h5,8,16H,1-4H2;2*1H/t8-;;/m1../s1
InChIKeyWSQBYIHRGWTUFB-YCBDHFTFSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]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-(4,5-dibromothiophen-2-yl)ethyl]piperazine
CID 131430761
2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol
CID 102843442
1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171283722
1-[(1R)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304911
(3S)-3-(4,5-dibromothiophen-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306422
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285064
1-[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178570
2,4-dibromo-6-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171178252
1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylbutyl]piperazine
CID 171305676
1-[(1R)-1-(3-bromo-4-chlorophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171179093
1-[(1R)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178275
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171174920

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride (CID 171283711) is 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)[C@@H](c1cc(Br)c(Br)s1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride?
The InChIKey is WSQBYIHRGWTUFB-YCBDHFTFSA-N. The full InChI is InChI=1S/C10H11Br2F3N2S.2ClH/c11-6-5-7(18-9(6)12)8(10(13,14)15)17-3-1-16-2-4-17;;/h5,8,16H,1-4H2;2*1H/t8-;;/m1../s1.
What are the key properties of 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride?
1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride has a molecular weight of 481.00 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171283711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).