1-propyl-2-(2,2,2-trifluoroethyl)piperazine

C9H17F3N2 — CID 90984109

IUPAC1-propyl-2-(2,2,2-trifluoroethyl)piperazine
SMILESCCCN1CCNCC1CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-2-4-14-5-3-13-7-8(14)6-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeySVJVEOIBSLVQDD-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds3

About 1-propyl-2-(2,2,2-trifluoroethyl)piperazine

1-propyl-2-(2,2,2-trifluoroethyl)piperazine (PubChem CID 90984109) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-propyl-2-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-propyl-2-(2,2,2-trifluoroethyl)piperazine
PubChem CID90984109
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-propyl-2-(2,2,2-trifluoroethyl)piperazine
SMILESCCCN1CCNCC1CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-2-4-14-5-3-13-7-8(14)6-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeySVJVEOIBSLVQDD-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-propyl-2-(2,2,2-trifluoroethyl)piperazine (CID 90984109) is 1-propyl-2-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-propyl-2-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-propyl-2-(2,2,2-trifluoroethyl)piperazine is CCCN1CCNCC1CC(F)(F)F.
What is the InChIKey of 1-propyl-2-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is SVJVEOIBSLVQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-4-14-5-3-13-7-8(14)6-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of 1-propyl-2-(2,2,2-trifluoroethyl)piperazine?
1-propyl-2-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 90984109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).