1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine

C8H12F6N2 — CID 84707209

IUPAC1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine
SMILESFC(F)(F)C(CN1CCNCC1)C(F)(F)F
InChIInChI=1S/C8H12F6N2/c9-7(10,11)6(8(12,13)14)5-16-3-1-15-2-4-16/h6,15H,1-5H2
InChIKeyAGWCKAWSGUESLH-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.63
Rot. Bonds2

About 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine

1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine (PubChem CID 84707209) has the molecular formula C8H12F6N2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine.

Molecular Properties

Compound Name1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine
PubChem CID84707209
Molecular FormulaC8H12F6N2
Molecular Weight250.19 g/mol
Exact Mass250.09
IUPAC Name1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine
SMILESFC(F)(F)C(CN1CCNCC1)C(F)(F)F
InChIInChI=1S/C8H12F6N2/c9-7(10,11)6(8(12,13)14)5-16-3-1-15-2-4-16/h6,15H,1-5H2
InChIKeyAGWCKAWSGUESLH-UHFFFAOYSA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine?
The IUPAC name of 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine (CID 84707209) is 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine.
What is the SMILES notation for 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine?
The canonical SMILES for 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine is FC(F)(F)C(CN1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine?
The InChIKey is AGWCKAWSGUESLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6N2/c9-7(10,11)6(8(12,13)14)5-16-3-1-15-2-4-16/h6,15H,1-5H2.
What are the key properties of 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine?
1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine has a molecular weight of 250.19 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]piperazine is sourced from PubChem (CID 84707209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).