2,2,3,3,4-pentafluorobutanal

C4H3F5O — CID 21243758

IUPAC2,2,3,3,4-pentafluorobutanal
SMILESO=CC(F)(F)C(F)(F)CF
InChIInChI=1S/C4H3F5O/c5-1-3(6,7)4(8,9)2-10/h2H,1H2
InChIKeyHACWDVVALJCWEO-UHFFFAOYSA-N
MW162.06 g/mol
LogP1.43
Rot. Bonds3

About 2,2,3,3,4-pentafluorobutanal

2,2,3,3,4-pentafluorobutanal (PubChem CID 21243758) has the molecular formula C4H3F5O and a molecular weight of 162.06 g/mol. Its IUPAC name is 2,2,3,3,4-pentafluorobutanal.

Molecular Properties

Compound Name2,2,3,3,4-pentafluorobutanal
PubChem CID21243758
Molecular FormulaC4H3F5O
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Name2,2,3,3,4-pentafluorobutanal
SMILESO=CC(F)(F)C(F)(F)CF
InChIInChI=1S/C4H3F5O/c5-1-3(6,7)4(8,9)2-10/h2H,1H2
InChIKeyHACWDVVALJCWEO-UHFFFAOYSA-N
XLogP1.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 51.43
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-pentafluorobutanal?
The IUPAC name of 2,2,3,3,4-pentafluorobutanal (CID 21243758) is 2,2,3,3,4-pentafluorobutanal.
What is the SMILES notation for 2,2,3,3,4-pentafluorobutanal?
The canonical SMILES for 2,2,3,3,4-pentafluorobutanal is O=CC(F)(F)C(F)(F)CF.
What is the InChIKey of 2,2,3,3,4-pentafluorobutanal?
The InChIKey is HACWDVVALJCWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O/c5-1-3(6,7)4(8,9)2-10/h2H,1H2.
What are the key properties of 2,2,3,3,4-pentafluorobutanal?
2,2,3,3,4-pentafluorobutanal has a molecular weight of 162.06 g/mol, XLogP of 1.43, 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-pentafluorobutanal is sourced from PubChem (CID 21243758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).