1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one

C14H14F14O — CID 155453587

IUPAC1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one
SMILESCCCC(CC(=O)CCC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H14F14O/c1-2-3-7(10(17,18)12(21,22)14(26,27)28)6-8(29)4-5-9(15,16)11(19,20)13(23,24)25/h7H,2-6H2,1H3
InChIKeyVBVZIFWZNLTVQX-UHFFFAOYSA-N
MW464.24 g/mol
LogP6.81
Rot. Bonds10

About 1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one

1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one (PubChem CID 155453587) has the molecular formula C14H14F14O and a molecular weight of 464.24 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one.

Molecular Properties

Compound Name1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one
PubChem CID155453587
Molecular FormulaC14H14F14O
Molecular Weight464.24 g/mol
Exact Mass464.08
IUPAC Name1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one
SMILESCCCC(CC(=O)CCC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H14F14O/c1-2-3-7(10(17,18)12(21,22)14(26,27)28)6-8(29)4-5-9(15,16)11(19,20)13(23,24)25/h7H,2-6H2,1H3
InChIKeyVBVZIFWZNLTVQX-UHFFFAOYSA-N
XLogP6.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.24
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one with MolForge

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Related Compounds

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3-ethyl-2,2-difluorohexanoic acid
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6-ethyl-1,1,1-trifluorodecan-4-one
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diethyl 4,4,5,5,6,6,7,7-octafluorodecanedioate
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10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)octadecanoic acid
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[1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-8-(2,2,2-trifluoroethyl)undecyl] 2-methylprop-2-enoate
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CID 91741460
methyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecanoate
CID 46945110
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one?
The IUPAC name of 1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one (CID 155453587) is 1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one.
What is the SMILES notation for 1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one?
The canonical SMILES for 1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one is CCCC(CC(=O)CCC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one?
The InChIKey is VBVZIFWZNLTVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F14O/c1-2-3-7(10(17,18)12(21,22)14(26,27)28)6-8(29)4-5-9(15,16)11(19,20)13(23,24)25/h7H,2-6H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one?
1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one has a molecular weight of 464.24 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one is sourced from PubChem (CID 155453587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).