2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid

C7H9F5O4 — CID 71623084

IUPAC2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid
SMILESO=C(O)C(F)(F)COCCOCC(F)(F)F
InChIInChI=1S/C7H9F5O4/c8-6(9,5(13)14)3-15-1-2-16-4-7(10,11)12/h1-4H2,(H,13,14)
InChIKeyQHKYSVADOHAFHH-UHFFFAOYSA-N
MW252.13 g/mol
LogP1.30
Rot. Bonds7

About 2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid

2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid (PubChem CID 71623084) has the molecular formula C7H9F5O4 and a molecular weight of 252.13 g/mol. Its IUPAC name is 2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid
PubChem CID71623084
Molecular FormulaC7H9F5O4
Molecular Weight252.13 g/mol
Exact Mass252.04
IUPAC Name2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid
SMILESO=C(O)C(F)(F)COCCOCC(F)(F)F
InChIInChI=1S/C7H9F5O4/c8-6(9,5(13)14)3-15-1-2-16-4-7(10,11)12/h1-4H2,(H,13,14)
InChIKeyQHKYSVADOHAFHH-UHFFFAOYSA-N
XLogP1.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.13
LogP ≤ 51.30
H-Bond Donors ≤ 51
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 2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid?
The IUPAC name of 2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid (CID 71623084) is 2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid?
The canonical SMILES for 2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid is O=C(O)C(F)(F)COCCOCC(F)(F)F.
What is the InChIKey of 2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid?
The InChIKey is QHKYSVADOHAFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O4/c8-6(9,5(13)14)3-15-1-2-16-4-7(10,11)12/h1-4H2,(H,13,14).
What are the key properties of 2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid?
2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid has a molecular weight of 252.13 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]propanoic acid is sourced from PubChem (CID 71623084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).