fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate

C11H6F16O2 — CID 174997199

IUPACfluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate
SMILESO=C(OF)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C11H6F16O2/c12-1(2(13)4(15)6(17)18)3(14)5(16)8(19,20)10(23,24)11(25,26)9(21,22)7(28)29-27/h1-6H
InChIKeyMICSATRTLMFOTR-UHFFFAOYSA-N
MW474.14 g/mol
LogP4.91
Rot. Bonds10

About fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate

fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate (PubChem CID 174997199) has the molecular formula C11H6F16O2 and a molecular weight of 474.14 g/mol. Its IUPAC name is fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate.

Molecular Properties

Compound Namefluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate
PubChem CID174997199
Molecular FormulaC11H6F16O2
Molecular Weight474.14 g/mol
Exact Mass474.01
IUPAC Namefluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate
SMILESO=C(OF)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C11H6F16O2/c12-1(2(13)4(15)6(17)18)3(14)5(16)8(19,20)10(23,24)11(25,26)9(21,22)7(28)29-27/h1-6H
InChIKeyMICSATRTLMFOTR-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.14
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate with MolForge

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Related Compounds

fluoro 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-triacontafluorohexadecanoate
CID 87145953
ethyl 2,2,3,3,4,4,5,6,7,7-decafluoroheptanoate
CID 87918751
1,2,2,3,3,4,4,5,5,6,7,8,9,10,11,12,12-heptadecafluorododecylbenzene
CID 23120854
1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane
CID 18504293
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononaneperoxoate
CID 23112153
lithium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,11,12,12-icosafluorododecane-1-sulfonate
CID 134207622
3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane
CID 175447972
1,2,2,3,3,4,5,6,7,8,9,9-dodecafluorononyl prop-2-enoate
CID 135341747
potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate
CID 134206791
potassium 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-hexadecafluorodecane-1-sulfonate
CID 134206568
1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol
CID 18676336
1,1,2,2,3,3,4,4,5,6,7,7-dodecafluoroheptane-1-thiol
CID 175037264

Frequently Asked Questions

What is the IUPAC name of fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate?
The IUPAC name of fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate (CID 174997199) is fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate.
What is the SMILES notation for fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate?
The canonical SMILES for fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate is O=C(OF)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate?
The InChIKey is MICSATRTLMFOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F16O2/c12-1(2(13)4(15)6(17)18)3(14)5(16)8(19,20)10(23,24)11(25,26)9(21,22)7(28)29-27/h1-6H.
What are the key properties of fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate?
fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate has a molecular weight of 474.14 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate is sourced from PubChem (CID 174997199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).