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

C6H5F5O2 — CID 23213736

IUPAC3,3,4,4,5-pentafluoro-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C6H5F5O2/c1-3(4(12)13)6(10,11)5(8,9)2-7/h1-2H2,(H,12,13)
InChIKeyFWGGRZXSGPPJFU-UHFFFAOYSA-N
MW204.09 g/mol
LogP1.87
Rot. Bonds4

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

3,3,4,4,5-pentafluoro-2-methylidenepentanoic acid (PubChem CID 23213736) has the molecular formula C6H5F5O2 and a molecular weight of 204.09 g/mol. Its IUPAC name is 3,3,4,4,5-pentafluoro-2-methylidenepentanoic acid.

Molecular Properties

Compound Name3,3,4,4,5-pentafluoro-2-methylidenepentanoic acid
PubChem CID23213736
Molecular FormulaC6H5F5O2
Molecular Weight204.09 g/mol
Exact Mass204.02
IUPAC Name3,3,4,4,5-pentafluoro-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C6H5F5O2/c1-3(4(12)13)6(10,11)5(8,9)2-7/h1-2H2,(H,12,13)
InChIKeyFWGGRZXSGPPJFU-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 51.87
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-pentafluoro-2-methylidenepentanoic acid?
The IUPAC name of 3,3,4,4,5-pentafluoro-2-methylidenepentanoic acid (CID 23213736) is 3,3,4,4,5-pentafluoro-2-methylidenepentanoic acid.
What is the SMILES notation for 3,3,4,4,5-pentafluoro-2-methylidenepentanoic acid?
The canonical SMILES for 3,3,4,4,5-pentafluoro-2-methylidenepentanoic acid is C=C(C(=O)O)C(F)(F)C(F)(F)CF.
What is the InChIKey of 3,3,4,4,5-pentafluoro-2-methylidenepentanoic acid?
The InChIKey is FWGGRZXSGPPJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O2/c1-3(4(12)13)6(10,11)5(8,9)2-7/h1-2H2,(H,12,13).
What are the key properties of 3,3,4,4,5-pentafluoro-2-methylidenepentanoic acid?
3,3,4,4,5-pentafluoro-2-methylidenepentanoic acid has a molecular weight of 204.09 g/mol, XLogP of 1.87, 4 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-pentafluoro-2-methylidenepentanoic acid is sourced from PubChem (CID 23213736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).