1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine

C9H15F3N2 — CID 162590452

IUPAC1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine
SMILESC=C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2/c1-8(2)14-5-3-13(4-6-14)7-9(10,11)12/h1,3-7H2,2H3
InChIKeyPYRKWNJATBMYEF-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.70
Rot. Bonds2

About 1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine

1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 162590452) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID162590452
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine
SMILESC=C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2/c1-8(2)14-5-3-13(4-6-14)7-9(10,11)12/h1,3-7H2,2H3
InChIKeyPYRKWNJATBMYEF-UHFFFAOYSA-N
XLogP1.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine (CID 162590452) is 1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine is C=C(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is PYRKWNJATBMYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-8(2)14-5-3-13(4-6-14)7-9(10,11)12/h1,3-7H2,2H3.
What are the key properties of 1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 208.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 162590452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).