2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid

C8H2F12O3 — CID 165362579

IUPAC2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C1OC1(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F12O3/c9-3(10,4(11,12)2(21)22)1-5(13,23-1)6(14,15)7(16,17)8(18,19)20/h1H,(H,21,22)
InChIKeyXVEOCSRISIXYLI-UHFFFAOYSA-N
MW374.08 g/mol
LogP3.24
Rot. Bonds5

About 2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid

2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid (PubChem CID 165362579) has the molecular formula C8H2F12O3 and a molecular weight of 374.08 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid
PubChem CID165362579
Molecular FormulaC8H2F12O3
Molecular Weight374.08 g/mol
Exact Mass373.98
IUPAC Name2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C1OC1(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F12O3/c9-3(10,4(11,12)2(21)22)1-5(13,23-1)6(14,15)7(16,17)8(18,19)20/h1H,(H,21,22)
InChIKeyXVEOCSRISIXYLI-UHFFFAOYSA-N
XLogP3.24
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid (CID 165362579) is 2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid is O=C(O)C(F)(F)C(F)(F)C1OC1(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid?
The InChIKey is XVEOCSRISIXYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F12O3/c9-3(10,4(11,12)2(21)22)1-5(13,23-1)6(14,15)7(16,17)8(18,19)20/h1H,(H,21,22).
What are the key properties of 2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid?
2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid has a molecular weight of 374.08 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-[3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxiran-2-yl]propanoic acid is sourced from PubChem (CID 165362579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).