1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane

C22H6F40O — CID 57309342

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C22H6F40O/c23-3(24)7(31,32)11(39,40)15(47,48)19(55,56)21(59,60)17(51,52)13(43,44)9(35,36)5(27,28)1-63-2-6(29,30)10(37,38)14(45,46)18(53,54)22(61,62)20(57,58)16(49,50)12(41,42)8(33,34)4(25)26/h3-4H,1-2H2
InChIKeyYRQAXYANVRZYSA-UHFFFAOYSA-N
MW1046.21 g/mol
LogP12.97
Rot. Bonds22

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane (PubChem CID 57309342) has the molecular formula C22H6F40O and a molecular weight of 1046.21 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane
PubChem CID57309342
Molecular FormulaC22H6F40O
Molecular Weight1046.21 g/mol
Exact Mass1045.98
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C22H6F40O/c23-3(24)7(31,32)11(39,40)15(47,48)19(55,56)21(59,60)17(51,52)13(43,44)9(35,36)5(27,28)1-63-2-6(29,30)10(37,38)14(45,46)18(53,54)22(61,62)20(57,58)16(49,50)12(41,42)8(33,34)4(25)26/h3-4H,1-2H2
InChIKeyYRQAXYANVRZYSA-UHFFFAOYSA-N
XLogP12.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001046.21
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane with MolForge

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Related Compounds

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Ethyl perfluorooctyl ether
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1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-propoxyoctane
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1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
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1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-[(prop-2-yn-1-yl)oxy]octane
CID 125488954
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-(trifluoromethoxy)heptane
CID 98454527
Ethyl perfluoroheptyl ether
CID 9909702
Dodecafluoroheptyl ether
CID 87506221
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-methoxy-heptane
CID 21057573
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-propoxyheptane
CID 15006624
8-Ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 19598606

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane (CID 57309342) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane?
The InChIKey is YRQAXYANVRZYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H6F40O/c23-3(24)7(31,32)11(39,40)15(47,48)19(55,56)21(59,60)17(51,52)13(43,44)9(35,36)5(27,28)1-63-2-6(29,30)10(37,38)14(45,46)18(53,54)22(61,62)20(57,58)16(49,50)12(41,42)8(33,34)4(25)26/h3-4H,1-2H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane has a molecular weight of 1046.21 g/mol, XLogP of 12.97, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-11-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)undecane is sourced from PubChem (CID 57309342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).