1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane

C11H13F11 — CID 98452289

IUPAC1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F11/c1-2-3-4-5-6-7(12,13)8(14,15)9(16,17)10(18,19)11(20,21)22/h2-6H2,1H3
InChIKeyJNSNOMBEZFGTQM-UHFFFAOYSA-N
MW354.20 g/mol
LogP6.06
Rot. Bonds8

About 1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane

1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane (PubChem CID 98452289) has the molecular formula C11H13F11 and a molecular weight of 354.20 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
PubChem CID98452289
Molecular FormulaC11H13F11
Molecular Weight354.20 g/mol
Exact Mass354.08
IUPAC Name1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F11/c1-2-3-4-5-6-7(12,13)8(14,15)9(16,17)10(18,19)11(20,21)22/h2-6H2,1H3
InChIKeyJNSNOMBEZFGTQM-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.20
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
2,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)undecanoic acid
CID 88617652
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane (CID 98452289) is 1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane is CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane?
The InChIKey is JNSNOMBEZFGTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F11/c1-2-3-4-5-6-7(12,13)8(14,15)9(16,17)10(18,19)11(20,21)22/h2-6H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane?
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane has a molecular weight of 354.20 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane is sourced from PubChem (CID 98452289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).