2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal

C11H5F17O — CID 19812630

IUPAC2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal
SMILESO=CC(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H5F17O/c12-3(2-29)1-5(15,16)7(19,20)9(23,24)11(27,28)10(25,26)8(21,22)6(17,18)4(13)14/h2-4H,1H2
InChIKeyZOOIMPUACSAIAN-UHFFFAOYSA-N
MW476.13 g/mol
LogP5.63
Rot. Bonds10

About 2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal

2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal (PubChem CID 19812630) has the molecular formula C11H5F17O and a molecular weight of 476.13 g/mol. Its IUPAC name is 2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal.

Molecular Properties

Compound Name2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal
PubChem CID19812630
Molecular FormulaC11H5F17O
Molecular Weight476.13 g/mol
Exact Mass476.01
IUPAC Name2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal
SMILESO=CC(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H5F17O/c12-3(2-29)1-5(15,16)7(19,20)9(23,24)11(27,28)10(25,26)8(21,22)6(17,18)4(13)14/h2-4H,1H2
InChIKeyZOOIMPUACSAIAN-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.13
LogP ≤ 55.63
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'}

Analyze 2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal with MolForge

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Related Compounds

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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane
CID 10816307
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal;hydrate
CID 45074727
1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane
CID 163290381
CID 58700662
CID 58700662
CID 16557800
CID 16557800
10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene
CID 166921781
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 2,2,3,3,4,4,4-heptafluorobutyl carbonate
CID 99769595
bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) but-2-enedioate
CID 73182527
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol
CID 87824444
sodium;hydride;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
CID 173105318
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl) carbonate
CID 99769617

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal?
The IUPAC name of 2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal (CID 19812630) is 2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal.
What is the SMILES notation for 2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal?
The canonical SMILES for 2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal is O=CC(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal?
The InChIKey is ZOOIMPUACSAIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F17O/c12-3(2-29)1-5(15,16)7(19,20)9(23,24)11(27,28)10(25,26)8(21,22)6(17,18)4(13)14/h2-4H,1H2.
What are the key properties of 2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal?
2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal has a molecular weight of 476.13 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal is sourced from PubChem (CID 19812630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).