3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid

C10H15F3N2O3 — CID 43522208

IUPAC3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)7-8(16)15-5-3-14(4-6-15)2-1-9(17)18/h1-7H2,(H,17,18)
InChIKeyHTSBLNZTAURHAI-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.56
Rot. Bonds4

About 3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid

3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid (PubChem CID 43522208) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid
PubChem CID43522208
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)7-8(16)15-5-3-14(4-6-15)2-1-9(17)18/h1-7H2,(H,17,18)
InChIKeyHTSBLNZTAURHAI-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 3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid (CID 43522208) is 3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid?
The InChIKey is HTSBLNZTAURHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)7-8(16)15-5-3-14(4-6-15)2-1-9(17)18/h1-7H2,(H,17,18).
What are the key properties of 3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid?
3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic 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 3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).