6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid

C10H16F3NO3 — CID 55011024

IUPAC6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid
SMILESCCN(CC(F)(F)F)C(=O)CCCCC(=O)O
InChIInChI=1S/C10H16F3NO3/c1-2-14(7-10(11,12)13)8(15)5-3-4-6-9(16)17/h2-7H2,1H3,(H,16,17)
InChIKeyGIRFFIHJIHDFRI-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.04
Rot. Bonds7

About 6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid

6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid (PubChem CID 55011024) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid
PubChem CID55011024
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid
SMILESCCN(CC(F)(F)F)C(=O)CCCCC(=O)O
InChIInChI=1S/C10H16F3NO3/c1-2-14(7-10(11,12)13)8(15)5-3-4-6-9(16)17/h2-7H2,1H3,(H,16,17)
InChIKeyGIRFFIHJIHDFRI-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.04
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-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid (CID 55011024) is 6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid is CCN(CC(F)(F)F)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid?
The InChIKey is GIRFFIHJIHDFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-2-14(7-10(11,12)13)8(15)5-3-4-6-9(16)17/h2-7H2,1H3,(H,16,17).
What are the key properties of 6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid?
6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid has a molecular weight of 255.24 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2,2,2-trifluoroethyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 55011024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).