methyl 11,11,12,12,12-pentafluorododecanoate

C13H21F5O2 — CID 11324149

IUPACmethyl 11,11,12,12,12-pentafluorododecanoate
SMILESCOC(=O)CCCCCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C13H21F5O2/c1-20-11(19)9-7-5-3-2-4-6-8-10-12(14,15)13(16,17)18/h2-10H2,1H3
InChIKeyJKKOHTBRDUJONU-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.87
Rot. Bonds10

About methyl 11,11,12,12,12-pentafluorododecanoate

methyl 11,11,12,12,12-pentafluorododecanoate (PubChem CID 11324149) has the molecular formula C13H21F5O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl 11,11,12,12,12-pentafluorododecanoate.

Molecular Properties

Compound Namemethyl 11,11,12,12,12-pentafluorododecanoate
PubChem CID11324149
Molecular FormulaC13H21F5O2
Molecular Weight304.30 g/mol
Exact Mass304.15
IUPAC Namemethyl 11,11,12,12,12-pentafluorododecanoate
SMILESCOC(=O)CCCCCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C13H21F5O2/c1-20-11(19)9-7-5-3-2-4-6-8-10-12(14,15)13(16,17)18/h2-10H2,1H3
InChIKeyJKKOHTBRDUJONU-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
CID 162111833
CID 162111833
methyl 6,6-dimethylheptanoate
CID 20777196
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
methyl 18-fluorooctadecanoate
CID 10034
dimethyl 9-oxooctadecanedioate
CID 544455
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 6-[(6-methoxy-6-oxohexyl)ditellanyl]hexanoate
CID 134882014
methyl 14-hydroxytetradecanoate
CID 13245690

Frequently Asked Questions

What is the IUPAC name of methyl 11,11,12,12,12-pentafluorododecanoate?
The IUPAC name of methyl 11,11,12,12,12-pentafluorododecanoate (CID 11324149) is methyl 11,11,12,12,12-pentafluorododecanoate.
What is the SMILES notation for methyl 11,11,12,12,12-pentafluorododecanoate?
The canonical SMILES for methyl 11,11,12,12,12-pentafluorododecanoate is COC(=O)CCCCCCCCCC(F)(F)C(F)(F)F.
What is the InChIKey of methyl 11,11,12,12,12-pentafluorododecanoate?
The InChIKey is JKKOHTBRDUJONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F5O2/c1-20-11(19)9-7-5-3-2-4-6-8-10-12(14,15)13(16,17)18/h2-10H2,1H3.
What are the key properties of methyl 11,11,12,12,12-pentafluorododecanoate?
methyl 11,11,12,12,12-pentafluorododecanoate has a molecular weight of 304.30 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11,11,12,12,12-pentafluorododecanoate is sourced from PubChem (CID 11324149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).