3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid

C6H3F7O2 — CID 21277491

IUPAC3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F7O2/c1-2(3(14)15)4(7,8)5(9,10)6(11,12)13/h1H2,(H,14,15)
InChIKeyUKGGXLOKUVDRJF-UHFFFAOYSA-N
MW240.07 g/mol
LogP2.46
Rot. Bonds3

About 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid

3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid (PubChem CID 21277491) has the molecular formula C6H3F7O2 and a molecular weight of 240.07 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid
PubChem CID21277491
Molecular FormulaC6H3F7O2
Molecular Weight240.07 g/mol
Exact Mass240.00
IUPAC Name3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F7O2/c1-2(3(14)15)4(7,8)5(9,10)6(11,12)13/h1H2,(H,14,15)
InChIKeyUKGGXLOKUVDRJF-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid (CID 21277491) is 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid is C=C(C(=O)O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid?
The InChIKey is UKGGXLOKUVDRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7O2/c1-2(3(14)15)4(7,8)5(9,10)6(11,12)13/h1H2,(H,14,15).
What are the key properties of 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid?
3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid has a molecular weight of 240.07 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanoic acid is sourced from PubChem (CID 21277491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).