2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid

C8H3F11O3 — CID 175696261

IUPAC2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid
SMILESC=C(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(=O)O)C(F)(F)F
InChIInChI=1S/C8H3F11O3/c1-2(9)4(10,11)6(14,7(15,16)17)22-8(18,19)5(12,13)3(20)21/h1H2,(H,20,21)
InChIKeyKTSAYGDAACQSEV-UHFFFAOYSA-N
MW356.09 g/mol
LogP3.66
Rot. Bonds6

About 2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid

2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid (PubChem CID 175696261) has the molecular formula C8H3F11O3 and a molecular weight of 356.09 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid
PubChem CID175696261
Molecular FormulaC8H3F11O3
Molecular Weight356.09 g/mol
Exact Mass355.99
IUPAC Name2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid
SMILESC=C(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(=O)O)C(F)(F)F
InChIInChI=1S/C8H3F11O3/c1-2(9)4(10,11)6(14,7(15,16)17)22-8(18,19)5(12,13)3(20)21/h1H2,(H,20,21)
InChIKeyKTSAYGDAACQSEV-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.09
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid (CID 175696261) is 2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid is C=C(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(=O)O)C(F)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid?
The InChIKey is KTSAYGDAACQSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F11O3/c1-2(9)4(10,11)6(14,7(15,16)17)22-8(18,19)5(12,13)3(20)21/h1H2,(H,20,21).
What are the key properties of 2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid?
2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid has a molecular weight of 356.09 g/mol, XLogP of 3.66, 6 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-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid is sourced from PubChem (CID 175696261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).