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

C10H15F3N2O3 — CID 43580111

IUPAC4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)7-14-3-5-15(6-4-14)8(16)1-2-9(17)18/h1-7H2,(H,17,18)
InChIKeyJJWUCFGRKQTHST-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.56
Rot. Bonds4

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

4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid (PubChem CID 43580111) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
PubChem CID43580111
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)7-14-3-5-15(6-4-14)8(16)1-2-9(17)18/h1-7H2,(H,17,18)
InChIKeyJJWUCFGRKQTHST-UHFFFAOYSA-N
XLogP0.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid (CID 43580111) is 4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid is O=C(O)CCC(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid?
The InChIKey is JJWUCFGRKQTHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)7-14-3-5-15(6-4-14)8(16)1-2-9(17)18/h1-7H2,(H,17,18).
What are the key properties of 4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid?
4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid has a molecular weight of 268.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 43580111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).