4,4,5,5,5-pentafluoropentanoic acid

C5H5F5O2 — CID 23423163

IUPAC4,4,5,5,5-pentafluoropentanoic acid
SMILESO=C(O)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5O2/c6-4(7,5(8,9)10)2-1-3(11)12/h1-2H2,(H,11,12)
InChIKeyHHSIXPRDVJARSI-UHFFFAOYSA-N
MW192.08 g/mol
LogP2.05
Rot. Bonds3

About 4,4,5,5,5-pentafluoropentanoic acid

4,4,5,5,5-pentafluoropentanoic acid (PubChem CID 23423163) has the molecular formula C5H5F5O2 and a molecular weight of 192.08 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoropentanoic acid.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoropentanoic acid
PubChem CID23423163
Molecular FormulaC5H5F5O2
Molecular Weight192.08 g/mol
Exact Mass192.02
IUPAC Name4,4,5,5,5-pentafluoropentanoic acid
SMILESO=C(O)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5O2/c6-4(7,5(8,9)10)2-1-3(11)12/h1-2H2,(H,11,12)
InChIKeyHHSIXPRDVJARSI-UHFFFAOYSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4,4,5,5,5-pentafluoropentanoic acid?
The IUPAC name of 4,4,5,5,5-pentafluoropentanoic acid (CID 23423163) is 4,4,5,5,5-pentafluoropentanoic acid.
What is the SMILES notation for 4,4,5,5,5-pentafluoropentanoic acid?
The canonical SMILES for 4,4,5,5,5-pentafluoropentanoic acid is O=C(O)CCC(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoropentanoic acid?
The InChIKey is HHSIXPRDVJARSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O2/c6-4(7,5(8,9)10)2-1-3(11)12/h1-2H2,(H,11,12).
What are the key properties of 4,4,5,5,5-pentafluoropentanoic acid?
4,4,5,5,5-pentafluoropentanoic acid has a molecular weight of 192.08 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoropentanoic acid is sourced from PubChem (CID 23423163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).