2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate

C5H3F9O2 — CID 2769666

IUPAC2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate
SMILESO.O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF9O.H2O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14;/h1H;1H2
InChIKeyUZESRIBVQIPIHZ-UHFFFAOYSA-N
MW266.06 g/mol
LogP1.83
Rot. Bonds3

About 2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate

2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate (PubChem CID 2769666) has the molecular formula C5H3F9O2 and a molecular weight of 266.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate
PubChem CID2769666
Molecular FormulaC5H3F9O2
Molecular Weight266.06 g/mol
Exact Mass266.00
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate
SMILESO.O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF9O.H2O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14;/h1H;1H2
InChIKeyUZESRIBVQIPIHZ-UHFFFAOYSA-N
XLogP1.83
TPSA48.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate (CID 2769666) is 2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate is O.O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate?
The InChIKey is UZESRIBVQIPIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9O.H2O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14;/h1H;1H2.
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate?
2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate has a molecular weight of 266.06 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoropentanal;hydrate is sourced from PubChem (CID 2769666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).