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

C15H18F6N2S — CID 171170580

IUPAC1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine
SMILESFC(F)(F)CC[C@H](c1ccc(SC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C15H18F6N2S/c16-14(17,18)6-5-13(23-9-7-22-8-10-23)11-1-3-12(4-2-11)24-15(19,20)21/h1-4,13,22H,5-10H2/t13-/m1/s1
InChIKeyWSUZYBTVWXDCKT-CYBMUJFWSA-N
MW372.38 g/mol
LogP4.59
Rot. Bonds5

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

1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine (PubChem CID 171170580) has the molecular formula C15H18F6N2S and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine
PubChem CID171170580
Molecular FormulaC15H18F6N2S
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine
SMILESFC(F)(F)CC[C@H](c1ccc(SC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C15H18F6N2S/c16-14(17,18)6-5-13(23-9-7-22-8-10-23)11-1-3-12(4-2-11)24-15(19,20)21/h1-4,13,22H,5-10H2/t13-/m1/s1
InChIKeyWSUZYBTVWXDCKT-CYBMUJFWSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
CID 171170586
1-[(1R)-2-fluoro-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine
CID 171182558
1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine
CID 171310237
(2R)-2-piperazin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol;hydrochloride
CID 171174552
1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171173138
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757
1-[(1S)-4,4,4-trifluoro-1-(4-methylphenyl)butyl]piperazine;dihydrochloride
CID 171303015
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
1-[(1R)-1-(4-ethylphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303945
1-[(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165322

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine?
The IUPAC name of 1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine (CID 171170580) is 1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine.
What is the SMILES notation for 1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine?
The canonical SMILES for 1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine is FC(F)(F)CC[C@H](c1ccc(SC(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine?
The InChIKey is WSUZYBTVWXDCKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18F6N2S/c16-14(17,18)6-5-13(23-9-7-22-8-10-23)11-1-3-12(4-2-11)24-15(19,20)21/h1-4,13,22H,5-10H2/t13-/m1/s1.
What are the key properties of 1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine?
1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine has a molecular weight of 372.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine is sourced from PubChem (CID 171170580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).