4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid

C11H19F3N2O2 — CID 62968936

IUPAC4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid
SMILESCC(CCC(=O)O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-9(2-3-10(17)18)16-6-4-15(5-7-16)8-11(12,13)14/h9H,2-8H2,1H3,(H,17,18)
InChIKeyMCIFQTGWWYGMNC-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.42
Rot. Bonds5

About 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid

4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid (PubChem CID 62968936) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid.

Molecular Properties

Compound Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid
PubChem CID62968936
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid
SMILESCC(CCC(=O)O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-9(2-3-10(17)18)16-6-4-15(5-7-16)8-11(12,13)14/h9H,2-8H2,1H3,(H,17,18)
InChIKeyMCIFQTGWWYGMNC-UHFFFAOYSA-N
XLogP1.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid?
The IUPAC name of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid (CID 62968936) is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid.
What is the SMILES notation for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid?
The canonical SMILES for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid is CC(CCC(=O)O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid?
The InChIKey is MCIFQTGWWYGMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-9(2-3-10(17)18)16-6-4-15(5-7-16)8-11(12,13)14/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid?
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid has a molecular weight of 268.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid is sourced from PubChem (CID 62968936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).