1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine

C14H16F6N2S — CID 171170586

IUPAC1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
SMILESFC(F)(F)C[C@H](c1ccc(SC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C14H16F6N2S/c15-13(16,17)9-12(22-7-5-21-6-8-22)10-1-3-11(4-2-10)23-14(18,19)20/h1-4,12,21H,5-9H2/t12-/m1/s1
InChIKeyAYJRBPOSYZQDGQ-GFCCVEGCSA-N
MW358.35 g/mol
LogP4.20
Rot. Bonds4

About 1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine

1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine (PubChem CID 171170586) has the molecular formula C14H16F6N2S and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
PubChem CID171170586
Molecular FormulaC14H16F6N2S
Molecular Weight358.35 g/mol
Exact Mass358.09
IUPAC Name1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
SMILESFC(F)(F)C[C@H](c1ccc(SC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C14H16F6N2S/c15-13(16,17)9-12(22-7-5-21-6-8-22)10-1-3-11(4-2-10)23-14(18,19)20/h1-4,12,21H,5-9H2/t12-/m1/s1
InChIKeyAYJRBPOSYZQDGQ-GFCCVEGCSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine
CID 171170580
1-[(1R)-2-fluoro-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine
CID 171182558
(2R)-2-piperazin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol;hydrochloride
CID 171174552
1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine
CID 171310237
1-[(1R)-3,3,3-trifluoro-1-(4-iodophenyl)propyl]piperazine;dihydrochloride
CID 171303530
1-[(1S)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163089
1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169001
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303944
1-[(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165322
1-[(1S)-3,3,3-trifluoro-1-pyridin-4-ylpropyl]piperazine;dihydrochloride
CID 171302429
1-[(1S)-3,3,3-trifluoro-1-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
CID 171167067

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine?
The IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine (CID 171170586) is 1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine?
The canonical SMILES for 1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine is FC(F)(F)C[C@H](c1ccc(SC(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine?
The InChIKey is AYJRBPOSYZQDGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16F6N2S/c15-13(16,17)9-12(22-7-5-21-6-8-22)10-1-3-11(4-2-10)23-14(18,19)20/h1-4,12,21H,5-9H2/t12-/m1/s1.
What are the key properties of 1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine?
1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine has a molecular weight of 358.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine is sourced from PubChem (CID 171170586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).