2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid

C6H4F6O3 — CID 155293418

IUPAC2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid
SMILESO=C(O)COC(F)(F)C(F)=CC(F)(F)F
InChIInChI=1S/C6H4F6O3/c7-3(1-5(8,9)10)6(11,12)15-2-4(13)14/h1H,2H2,(H,13,14)
InChIKeyZFZXIMMYKHEGKN-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.10
Rot. Bonds4

About 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid

2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid (PubChem CID 155293418) has the molecular formula C6H4F6O3 and a molecular weight of 238.08 g/mol. Its IUPAC name is 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid.

Molecular Properties

Compound Name2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid
PubChem CID155293418
Molecular FormulaC6H4F6O3
Molecular Weight238.08 g/mol
Exact Mass238.01
IUPAC Name2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid
SMILESO=C(O)COC(F)(F)C(F)=CC(F)(F)F
InChIInChI=1S/C6H4F6O3/c7-3(1-5(8,9)10)6(11,12)15-2-4(13)14/h1H,2H2,(H,13,14)
InChIKeyZFZXIMMYKHEGKN-UHFFFAOYSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid?
The IUPAC name of 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid (CID 155293418) is 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid.
What is the SMILES notation for 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid?
The canonical SMILES for 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid is O=C(O)COC(F)(F)C(F)=CC(F)(F)F.
What is the InChIKey of 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid?
The InChIKey is ZFZXIMMYKHEGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6O3/c7-3(1-5(8,9)10)6(11,12)15-2-4(13)14/h1H,2H2,(H,13,14).
What are the key properties of 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid?
2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid has a molecular weight of 238.08 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetic acid is sourced from PubChem (CID 155293418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).