2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal

C7HF13O — CID 11759813

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H
InChIKeyYYYONDXERNIFKX-UHFFFAOYSA-N
MW348.06 g/mol
LogP3.92
Rot. Bonds5

About 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal (PubChem CID 11759813) has the molecular formula C7HF13O and a molecular weight of 348.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal
PubChem CID11759813
Molecular FormulaC7HF13O
Molecular Weight348.06 g/mol
Exact Mass347.98
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal
SMILESO=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H
InChIKeyYYYONDXERNIFKX-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 53.92
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 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal (CID 11759813) is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal is O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal?
The InChIKey is YYYONDXERNIFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal?
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal has a molecular weight of 348.06 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal is sourced from PubChem (CID 11759813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).