4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane

C11H11F11 — CID 171489426

IUPAC4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC1CC1
InChIInChI=1S/C11H11F11/c12-7(13,5-1-2-6-3-4-6)8(14,15)9(16,17)10(18,19)11(20,21)22/h6H,1-5H2
InChIKeyFILMVOLLRVIZHR-UHFFFAOYSA-N
MW352.19 g/mol
LogP5.67
Rot. Bonds7

About 4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane

4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane (PubChem CID 171489426) has the molecular formula C11H11F11 and a molecular weight of 352.19 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane
PubChem CID171489426
Molecular FormulaC11H11F11
Molecular Weight352.19 g/mol
Exact Mass352.07
IUPAC Name4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC1CC1
InChIInChI=1S/C11H11F11/c12-7(13,5-1-2-6-3-4-6)8(14,15)9(16,17)10(18,19)11(20,21)22/h6H,1-5H2
InChIKeyFILMVOLLRVIZHR-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.19
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)cyclohexyl]cyclohexane
CID 18964463
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
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-butyl-4-[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)cyclohexyl]cyclohexane;1-heptyl-4-[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)cyclohexyl]cyclohexane;1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-4-(4-pentylcyclohexyl)cyclohexane;1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-4-(4-propylcyclohexyl)cyclohexane
CID 173399136
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid
CID 18469837
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
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
14-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetradecane
CID 59389719
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane (CID 171489426) is 4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC1CC1.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane?
The InChIKey is FILMVOLLRVIZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F11/c12-7(13,5-1-2-6-3-4-6)8(14,15)9(16,17)10(18,19)11(20,21)22/h6H,1-5H2.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane?
4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane has a molecular weight of 352.19 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,8-undecafluorooctylcyclopropane is sourced from PubChem (CID 171489426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).