1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine

C9H16BrF3N2 — CID 62968303

IUPAC1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CCCBr)CC1
InChIInChI=1S/C9H16BrF3N2/c10-2-1-3-14-4-6-15(7-5-14)8-9(11,12)13/h1-8H2
InChIKeyWIUGJBWADBBTHL-UHFFFAOYSA-N
MW289.14 g/mol
LogP1.95
Rot. Bonds4

About 1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 62968303) has the molecular formula C9H16BrF3N2 and a molecular weight of 289.14 g/mol. Its IUPAC name is 1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID62968303
Molecular FormulaC9H16BrF3N2
Molecular Weight289.14 g/mol
Exact Mass288.04
IUPAC Name1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CCCBr)CC1
InChIInChI=1S/C9H16BrF3N2/c10-2-1-3-14-4-6-15(7-5-14)8-9(11,12)13/h1-8H2
InChIKeyWIUGJBWADBBTHL-UHFFFAOYSA-N
XLogP1.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 62968303) is 1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(CCCBr)CC1.
What is the InChIKey of 1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is WIUGJBWADBBTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrF3N2/c10-2-1-3-14-4-6-15(7-5-14)8-9(11,12)13/h1-8H2.
What are the key properties of 1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 289.14 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 62968303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).