5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid

C9H16F3NO3 — CID 103251694

IUPAC5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid
SMILESO=C(O)CCCCNCCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)7-16-6-5-13-4-2-1-3-8(14)15/h13H,1-7H2,(H,14,15)
InChIKeyVHKUYVOHWOXZHV-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.41
Rot. Bonds9

About 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid

5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid (PubChem CID 103251694) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid.

Molecular Properties

Compound Name5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid
PubChem CID103251694
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid
SMILESO=C(O)CCCCNCCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)7-16-6-5-13-4-2-1-3-8(14)15/h13H,1-7H2,(H,14,15)
InChIKeyVHKUYVOHWOXZHV-UHFFFAOYSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid?
The IUPAC name of 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid (CID 103251694) is 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid.
What is the SMILES notation for 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid?
The canonical SMILES for 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid is O=C(O)CCCCNCCOCC(F)(F)F.
What is the InChIKey of 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid?
The InChIKey is VHKUYVOHWOXZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c10-9(11,12)7-16-6-5-13-4-2-1-3-8(14)15/h13H,1-7H2,(H,14,15).
What are the key properties of 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid?
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid has a molecular weight of 243.22 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pentanoic acid is sourced from PubChem (CID 103251694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).