5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid

C11H18F3NO3 — CID 54875531

IUPAC5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
SMILESCCCCN(CC(F)(F)F)C(=O)CCCC(=O)O
InChIInChI=1S/C11H18F3NO3/c1-2-3-7-15(8-11(12,13)14)9(16)5-4-6-10(17)18/h2-8H2,1H3,(H,17,18)
InChIKeyRENPIKOLIUWXTE-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.43
Rot. Bonds8

About 5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid

5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid (PubChem CID 54875531) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
PubChem CID54875531
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
SMILESCCCCN(CC(F)(F)F)C(=O)CCCC(=O)O
InChIInChI=1S/C11H18F3NO3/c1-2-3-7-15(8-11(12,13)14)9(16)5-4-6-10(17)18/h2-8H2,1H3,(H,17,18)
InChIKeyRENPIKOLIUWXTE-UHFFFAOYSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid (CID 54875531) is 5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid is CCCCN(CC(F)(F)F)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The InChIKey is RENPIKOLIUWXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-2-3-7-15(8-11(12,13)14)9(16)5-4-6-10(17)18/h2-8H2,1H3,(H,17,18).
What are the key properties of 5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid has a molecular weight of 269.26 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 54875531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).