2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid

C7H2F10O4 — CID 155383254

IUPAC2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F10O4/c8-4(9,2(18)19)5(10,11)3(20)21-1(6(12,13)14)7(15,16)17/h1H,(H,18,19)
InChIKeySYOWASJNHKWNJK-UHFFFAOYSA-N
MW340.07 g/mol
LogP2.38
Rot. Bonds4

About 2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid

2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid (PubChem CID 155383254) has the molecular formula C7H2F10O4 and a molecular weight of 340.07 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid
PubChem CID155383254
Molecular FormulaC7H2F10O4
Molecular Weight340.07 g/mol
Exact Mass339.98
IUPAC Name2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F10O4/c8-4(9,2(18)19)5(10,11)3(20)21-1(6(12,13)14)7(15,16)17/h1H,(H,18,19)
InChIKeySYOWASJNHKWNJK-UHFFFAOYSA-N
XLogP2.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.07
LogP ≤ 52.38
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 2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid (CID 155383254) is 2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid is O=C(O)C(F)(F)C(F)(F)C(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid?
The InChIKey is SYOWASJNHKWNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F10O4/c8-4(9,2(18)19)5(10,11)3(20)21-1(6(12,13)14)7(15,16)17/h1H,(H,18,19).
What are the key properties of 2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid?
2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid has a molecular weight of 340.07 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-oxobutanoic acid is sourced from PubChem (CID 155383254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).