1-ethyl-4-(3,3,3-trifluoropropyl)piperazine

C9H17F3N2 — CID 59628434

IUPAC1-ethyl-4-(3,3,3-trifluoropropyl)piperazine
SMILESCCN1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-2-13-5-7-14(8-6-13)4-3-9(10,11)12/h2-8H2,1H3
InChIKeyCBGNLQIWSMIIAK-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.58
Rot. Bonds3

About 1-ethyl-4-(3,3,3-trifluoropropyl)piperazine

1-ethyl-4-(3,3,3-trifluoropropyl)piperazine (PubChem CID 59628434) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-ethyl-4-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(3,3,3-trifluoropropyl)piperazine
PubChem CID59628434
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-ethyl-4-(3,3,3-trifluoropropyl)piperazine
SMILESCCN1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-2-13-5-7-14(8-6-13)4-3-9(10,11)12/h2-8H2,1H3
InChIKeyCBGNLQIWSMIIAK-UHFFFAOYSA-N
XLogP1.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 1-ethyl-4-(3,3,3-trifluoropropyl)piperazine (CID 59628434) is 1-ethyl-4-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 1-ethyl-4-(3,3,3-trifluoropropyl)piperazine is CCN1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-4-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is CBGNLQIWSMIIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-13-5-7-14(8-6-13)4-3-9(10,11)12/h2-8H2,1H3.
What are the key properties of 1-ethyl-4-(3,3,3-trifluoropropyl)piperazine?
1-ethyl-4-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 210.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 59628434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).