6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid

C11H18F3NO3 — CID 60948785

IUPAC6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)CCCCC(=O)O
InChIInChI=1S/C11H18F3NO3/c1-2-7-15(8-11(12,13)14)9(16)5-3-4-6-10(17)18/h2-8H2,1H3,(H,17,18)
InChIKeyAKMQKEGSWISJMI-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.43
Rot. Bonds8

About 6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid

6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid (PubChem CID 60948785) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid
PubChem CID60948785
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)CCCCC(=O)O
InChIInChI=1S/C11H18F3NO3/c1-2-7-15(8-11(12,13)14)9(16)5-3-4-6-10(17)18/h2-8H2,1H3,(H,17,18)
InChIKeyAKMQKEGSWISJMI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid?
The IUPAC name of 6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid (CID 60948785) is 6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid.
What is the SMILES notation for 6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid?
The canonical SMILES for 6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid is CCCN(CC(F)(F)F)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid?
The InChIKey is AKMQKEGSWISJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-2-7-15(8-11(12,13)14)9(16)5-3-4-6-10(17)18/h2-8H2,1H3,(H,17,18).
What are the key properties of 6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid?
6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic 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 6-oxo-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid is sourced from PubChem (CID 60948785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).