1-butyl-4-(2,2,2-trifluoroethyl)piperazine

C10H19F3N2 — CID 58762175

IUPAC1-butyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-2-3-4-14-5-7-15(8-6-14)9-10(11,12)13/h2-9H2,1H3
InChIKeyPGDTVSYYNZHLQF-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.97
Rot. Bonds4

About 1-butyl-4-(2,2,2-trifluoroethyl)piperazine

1-butyl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 58762175) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-butyl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID58762175
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name1-butyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-2-3-4-14-5-7-15(8-6-14)9-10(11,12)13/h2-9H2,1H3
InChIKeyPGDTVSYYNZHLQF-UHFFFAOYSA-N
XLogP1.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-butyl-4-(2,2,2-trifluoroethyl)piperazine (CID 58762175) is 1-butyl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-butyl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-butyl-4-(2,2,2-trifluoroethyl)piperazine is CCCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-butyl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is PGDTVSYYNZHLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-2-3-4-14-5-7-15(8-6-14)9-10(11,12)13/h2-9H2,1H3.
What are the key properties of 1-butyl-4-(2,2,2-trifluoroethyl)piperazine?
1-butyl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 224.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 58762175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).