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

C10H17F3N2O2 — CID 62968056

IUPAC4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)8-15-6-4-14(5-7-15)3-1-2-9(16)17/h1-8H2,(H,16,17)
InChIKeyXZDGMQGMWSSEJE-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.03
Rot. Bonds5

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

4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid (PubChem CID 62968056) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
PubChem CID62968056
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)8-15-6-4-14(5-7-15)3-1-2-9(16)17/h1-8H2,(H,16,17)
InChIKeyXZDGMQGMWSSEJE-UHFFFAOYSA-N
XLogP1.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.03
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]butanoic acid?
The IUPAC name of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid (CID 62968056) is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid is O=C(O)CCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid?
The InChIKey is XZDGMQGMWSSEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)8-15-6-4-14(5-7-15)3-1-2-9(16)17/h1-8H2,(H,16,17).
What are the key properties of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid?
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid has a molecular weight of 254.25 g/mol, XLogP of 1.03, 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]butanoic acid is sourced from PubChem (CID 62968056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).