5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one

C9H16F3NO3 — CID 58479120

IUPAC5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one
SMILESNCCOCCOCCCC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)8(14)2-1-4-15-6-7-16-5-3-13/h1-7,13H2
InChIKeyBXFAOWDRPFJVBD-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.89
Rot. Bonds9

About 5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one

5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one (PubChem CID 58479120) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one.

Molecular Properties

Compound Name5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one
PubChem CID58479120
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one
SMILESNCCOCCOCCCC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)8(14)2-1-4-15-6-7-16-5-3-13/h1-7,13H2
InChIKeyBXFAOWDRPFJVBD-UHFFFAOYSA-N
XLogP0.89
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one?
The IUPAC name of 5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one (CID 58479120) is 5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one.
What is the SMILES notation for 5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one?
The canonical SMILES for 5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one is NCCOCCOCCCC(=O)C(F)(F)F.
What is the InChIKey of 5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one?
The InChIKey is BXFAOWDRPFJVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c10-9(11,12)8(14)2-1-4-15-6-7-16-5-3-13/h1-7,13H2.
What are the key properties of 5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one?
5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one has a molecular weight of 243.22 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminoethoxy)ethoxy]-1,1,1-trifluoropentan-2-one is sourced from PubChem (CID 58479120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).