2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one

C14H10F17NO — CID 3572182

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-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)C(F)(F)F
InChIInChI=1S/C14H10F17NO/c15-7(16,6(33)32-4-2-1-3-5-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-5H2
InChIKeyMUDNMIJLLYHJQR-UHFFFAOYSA-N
MW531.21 g/mol
LogP6.01
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one (PubChem CID 3572182) has the molecular formula C14H10F17NO and a molecular weight of 531.21 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one
PubChem CID3572182
Molecular FormulaC14H10F17NO
Molecular Weight531.21 g/mol
Exact Mass531.05
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-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)C(F)(F)F
InChIInChI=1S/C14H10F17NO/c15-7(16,6(33)32-4-2-1-3-5-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-5H2
InChIKeyMUDNMIJLLYHJQR-UHFFFAOYSA-N
XLogP6.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.21
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one with MolForge

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Related Compounds

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CID 5093018
2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione
CID 4999121
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one
CID 3430081
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(4-methylpiperazin-1-yl)heptan-1-one
CID 5210023
1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-one
CID 98455652
3,3,3-trifluoro-2-hydroxy-2-methyl-1-piperidin-1-ylpropan-1-one
CID 10751652
1-(4-benzhydrylpiperazin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-one
CID 4286754
1-(2-ethylpiperidin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-one
CID 4120910
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-(4-pyrazin-2-ylpiperazin-1-yl)octan-1-one
CID 13298553
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,25-pentacontafluoropentacosan-13-one
CID 158650223
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]nonan-1-one
CID 4588699

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one (CID 3572182) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-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)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one?
The InChIKey is MUDNMIJLLYHJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F17NO/c15-7(16,6(33)32-4-2-1-3-5-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-5H2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one has a molecular weight of 531.21 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one is sourced from PubChem (CID 3572182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).