2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid

C6H2F10O4 — CID 162396554

IUPAC2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid
SMILESO=C(O)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C6H2F10O4/c7-1(2(17)18)19-4(10,11)3(8,9)5(12,13)20-6(14,15)16/h1H,(H,17,18)
InChIKeyNHXHIJIMSICWIR-UHFFFAOYSA-N
MW328.06 g/mol
LogP2.74
Rot. Bonds6

About 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid

2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid (PubChem CID 162396554) has the molecular formula C6H2F10O4 and a molecular weight of 328.06 g/mol. Its IUPAC name is 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid
PubChem CID162396554
Molecular FormulaC6H2F10O4
Molecular Weight328.06 g/mol
Exact Mass327.98
IUPAC Name2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid
SMILESO=C(O)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C6H2F10O4/c7-1(2(17)18)19-4(10,11)3(8,9)5(12,13)20-6(14,15)16/h1H,(H,17,18)
InChIKeyNHXHIJIMSICWIR-UHFFFAOYSA-N
XLogP2.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.06
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid?
The IUPAC name of 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid (CID 162396554) is 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid.
What is the SMILES notation for 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid?
The canonical SMILES for 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid is O=C(O)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid?
The InChIKey is NHXHIJIMSICWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F10O4/c7-1(2(17)18)19-4(10,11)3(8,9)5(12,13)20-6(14,15)16/h1H,(H,17,18).
What are the key properties of 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid?
2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid has a molecular weight of 328.06 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid is sourced from PubChem (CID 162396554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).