2,2,3,3,4,4,5,5,5-nonafluoropentanal

C5HF9O — CID 2769667

IUPAC2,2,3,3,4,4,5,5,5-nonafluoropentanal
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1H
InChIKeyILSWGKFIWBVLDG-UHFFFAOYSA-N
MW248.04 g/mol
LogP2.65
Rot. Bonds3

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

2,2,3,3,4,4,5,5,5-nonafluoropentanal (PubChem CID 2769667) has the molecular formula C5HF9O and a molecular weight of 248.04 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoropentanal.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoropentanal
PubChem CID2769667
Molecular FormulaC5HF9O
Molecular Weight248.04 g/mol
Exact Mass247.99
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoropentanal
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1H
InChIKeyILSWGKFIWBVLDG-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 52.65
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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Related Compounds

Heptafluorobutyraldehyde
CID 67809
5H-Perfluoropentanal
CID 542849
Perfluoroheptanal
CID 11759813
3,3,4,4,4-Pentafluorobutanal
CID 10374737
7H-Dodecafluoroheptanal
CID 542848
3,3,4,4,5,5,6,6,6-Nonafluorohexanal
CID 10422795
Nonafluoropentanal hydrate
CID 2769666
3,3,4,4,5,5,5-Heptafluoropentanal
CID 2782533
2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanal
CID 23080700
2,2,3,3,4,4,5,5-Octafluorohexanedial
CID 12751140
4,4-Difluoropentanal
CID 83853779
Heptafluoro-2-oxopentanal
CID 17949556

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoropentanal?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoropentanal (CID 2769667) is 2,2,3,3,4,4,5,5,5-nonafluoropentanal.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoropentanal?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoropentanal is 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?
The InChIKey is ILSWGKFIWBVLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1H.
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoropentanal?
2,2,3,3,4,4,5,5,5-nonafluoropentanal has a molecular weight of 248.04 g/mol, XLogP of 2.65, 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 is sourced from PubChem (CID 2769667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).