2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one

C13H10F15NO — CID 15164363

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one
SMILESO=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F15NO/c14-7(15,6(30)29-4-2-1-3-5-29)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h1-5H2
InChIKeySMQVMVNUQHKMQS-UHFFFAOYSA-N
MW481.20 g/mol
LogP5.37
Rot. Bonds6

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one (PubChem CID 15164363) has the molecular formula C13H10F15NO and a molecular weight of 481.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one
PubChem CID15164363
Molecular FormulaC13H10F15NO
Molecular Weight481.20 g/mol
Exact Mass481.05
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one
SMILESO=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F15NO/c14-7(15,6(30)29-4-2-1-3-5-29)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h1-5H2
InChIKeySMQVMVNUQHKMQS-UHFFFAOYSA-N
XLogP5.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.20
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one (CID 15164363) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one is O=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one?
The InChIKey is SMQVMVNUQHKMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F15NO/c14-7(15,6(30)29-4-2-1-3-5-29)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h1-5H2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one has a molecular weight of 481.20 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-piperidin-1-yloctan-1-one is sourced from PubChem (CID 15164363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).