1-propyl-2-(1,1,2-trifluoroethyl)piperazine

C9H17F3N2 — CID 173033567

IUPAC1-propyl-2-(1,1,2-trifluoroethyl)piperazine
SMILESCCCN1CCNCC1C(F)(F)CF
InChIInChI=1S/C9H17F3N2/c1-2-4-14-5-3-13-6-8(14)9(11,12)7-10/h8,13H,2-7H2,1H3
InChIKeyPNZKKCJXWWIEHC-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.27
Rot. Bonds4

About 1-propyl-2-(1,1,2-trifluoroethyl)piperazine

1-propyl-2-(1,1,2-trifluoroethyl)piperazine (PubChem CID 173033567) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-propyl-2-(1,1,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-propyl-2-(1,1,2-trifluoroethyl)piperazine
PubChem CID173033567
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-propyl-2-(1,1,2-trifluoroethyl)piperazine
SMILESCCCN1CCNCC1C(F)(F)CF
InChIInChI=1S/C9H17F3N2/c1-2-4-14-5-3-13-6-8(14)9(11,12)7-10/h8,13H,2-7H2,1H3
InChIKeyPNZKKCJXWWIEHC-UHFFFAOYSA-N
XLogP1.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-(1,1,2-trifluoroethyl)piperazine?
The IUPAC name of 1-propyl-2-(1,1,2-trifluoroethyl)piperazine (CID 173033567) is 1-propyl-2-(1,1,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-propyl-2-(1,1,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-propyl-2-(1,1,2-trifluoroethyl)piperazine is CCCN1CCNCC1C(F)(F)CF.
What is the InChIKey of 1-propyl-2-(1,1,2-trifluoroethyl)piperazine?
The InChIKey is PNZKKCJXWWIEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-4-14-5-3-13-6-8(14)9(11,12)7-10/h8,13H,2-7H2,1H3.
What are the key properties of 1-propyl-2-(1,1,2-trifluoroethyl)piperazine?
1-propyl-2-(1,1,2-trifluoroethyl)piperazine has a molecular weight of 210.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-(1,1,2-trifluoroethyl)piperazine is sourced from PubChem (CID 173033567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).