5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one

C10H5Cl4F11O — CID 154223636

IUPAC5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one
SMILESCCC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C10H5Cl4F11O/c1-2-3(26)4(15,16)5(11,17)8(20,21)6(12,18)9(22,23)7(13,19)10(14,24)25/h2H2,1H3
InChIKeyATSNGDQBWSZYLA-UHFFFAOYSA-N
MW491.94 g/mol
LogP6.42
Rot. Bonds8

About 5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one

5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one (PubChem CID 154223636) has the molecular formula C10H5Cl4F11O and a molecular weight of 491.94 g/mol. Its IUPAC name is 5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one.

Molecular Properties

Compound Name5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one
PubChem CID154223636
Molecular FormulaC10H5Cl4F11O
Molecular Weight491.94 g/mol
Exact Mass489.89
IUPAC Name5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one
SMILESCCC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C10H5Cl4F11O/c1-2-3(26)4(15,16)5(11,17)8(20,21)6(12,18)9(22,23)7(13,19)10(14,24)25/h2H2,1H3
InChIKeyATSNGDQBWSZYLA-UHFFFAOYSA-N
XLogP6.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.94
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-chloro-2,2,3,3,4,4-hexafluorobutanoyl fluoride
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Frequently Asked Questions

What is the IUPAC name of 5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one?
The IUPAC name of 5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one (CID 154223636) is 5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one.
What is the SMILES notation for 5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one?
The canonical SMILES for 5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one is CCC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one?
The InChIKey is ATSNGDQBWSZYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl4F11O/c1-2-3(26)4(15,16)5(11,17)8(20,21)6(12,18)9(22,23)7(13,19)10(14,24)25/h2H2,1H3.
What are the key properties of 5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one?
5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one has a molecular weight of 491.94 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,9,10-tetrachloro-4,4,5,6,6,7,8,8,9,10,10-undecafluorodecan-3-one is sourced from PubChem (CID 154223636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).