2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine

C9H17F3N2 — CID 131114683

IUPAC2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine
SMILESCCC1CNCCN1C(C)C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-3-8-6-13-4-5-14(8)7(2)9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyHVGBRVBUCVUPKD-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds2

About 2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine

2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine (PubChem CID 131114683) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine
PubChem CID131114683
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine
SMILESCCC1CNCCN1C(C)C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-3-8-6-13-4-5-14(8)7(2)9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyHVGBRVBUCVUPKD-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine?
The IUPAC name of 2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine (CID 131114683) is 2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine.
What is the SMILES notation for 2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine?
The canonical SMILES for 2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine is CCC1CNCCN1C(C)C(F)(F)F.
What is the InChIKey of 2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine?
The InChIKey is HVGBRVBUCVUPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-3-8-6-13-4-5-14(8)7(2)9(10,11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine?
2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1,1,1-trifluoropropan-2-yl)piperazine is sourced from PubChem (CID 131114683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).