1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine

C11H14BrF3N2S — CID 171303292

IUPAC1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine
SMILESFC(F)(F)C[C@H](c1cc(Br)cs1)N1CCNCC1
InChIInChI=1S/C11H14BrF3N2S/c12-8-5-10(18-7-8)9(6-11(13,14)15)17-3-1-16-2-4-17/h5,7,9,16H,1-4,6H2/t9-/m1/s1
InChIKeyBMYUTZCNHCVKIU-SECBINFHSA-N
MW343.21 g/mol
LogP3.41
Rot. Bonds3

About 1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine

1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine (PubChem CID 171303292) has the molecular formula C11H14BrF3N2S and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine
PubChem CID171303292
Molecular FormulaC11H14BrF3N2S
Molecular Weight343.21 g/mol
Exact Mass342.00
IUPAC Name1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine
SMILESFC(F)(F)C[C@H](c1cc(Br)cs1)N1CCNCC1
InChIInChI=1S/C11H14BrF3N2S/c12-8-5-10(18-7-8)9(6-11(13,14)15)17-3-1-16-2-4-17/h5,7,9,16H,1-4,6H2/t9-/m1/s1
InChIKeyBMYUTZCNHCVKIU-SECBINFHSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302329
1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine
CID 95490471
1-[(1S)-1-(3,5-dibromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171167338
1-[(1S)-1-(4-bromothiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171272791
1-[(1S)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163089
1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine
CID 171285422
1-[(1S)-1-(5-bromo-3-pyridinyl)-3,3,3-trifluoropropyl]piperazine
CID 171302338
1-[(1S)-1-(4-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131429782
1-[(1R)-1-(5-bromo-2-chlorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303608
2,4-dibromo-6-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171167989
2,4-dibromo-6-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]aniline;dihydrochloride
CID 171303349
1-[(1S)-1-(4-bromothiophen-2-yl)-2,2-dimethylpropyl]piperazine
CID 171272792

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine (CID 171303292) is 1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine is FC(F)(F)C[C@H](c1cc(Br)cs1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine?
The InChIKey is BMYUTZCNHCVKIU-SECBINFHSA-N. The full InChI is InChI=1S/C11H14BrF3N2S/c12-8-5-10(18-7-8)9(6-11(13,14)15)17-3-1-16-2-4-17/h5,7,9,16H,1-4,6H2/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine?
1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine has a molecular weight of 343.21 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine is sourced from PubChem (CID 171303292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).