2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine

C13H13F6N2O2- — CID 46779053

IUPAC2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)cc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C11H13F3N2.C2HF3O2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16;3-2(4,5)1(6)7/h1-4,15H,5-8H2;(H,6,7)/p-1
InChIKeySQHIPBGRLZCTBO-UHFFFAOYSA-M
MW343.25 g/mol
LogP1.41
Rot. Bonds1

About 2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine

2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 46779053) has the molecular formula C13H13F6N2O2- and a molecular weight of 343.25 g/mol. Its IUPAC name is 2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID46779053
Molecular FormulaC13H13F6N2O2-
Molecular Weight343.25 g/mol
Exact Mass343.09
IUPAC Name2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)cc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C11H13F3N2.C2HF3O2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16;3-2(4,5)1(6)7/h1-4,15H,5-8H2;(H,6,7)/p-1
InChIKeySQHIPBGRLZCTBO-UHFFFAOYSA-M
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1,1,1,3,3,3-hexafluoro-2-[4-(4-piperazin-1-ylphenyl)phenyl]propan-2-yl] 2,2,2-trifluoroacetate
CID 90255197
1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine
CID 58576730
N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119494136
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
lithium 2-methyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanoate
CID 58576928
(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine
CID 159981198
1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 22345195
4-hydroxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 167913460
2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid
CID 22435906
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
2,2,3,3,4,4,4-heptafluoro-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 91745165
(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine (CID 46779053) is 2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1ccc(N2CCNCC2)cc1.O=C([O-])C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is SQHIPBGRLZCTBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13F3N2.C2HF3O2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16;3-2(4,5)1(6)7/h1-4,15H,5-8H2;(H,6,7)/p-1.
What are the key properties of 2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine?
2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 343.25 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 46779053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).