3,3,4,4,5,5,6,6-octafluorotridecane

C13H20F8 — CID 121404861

IUPAC3,3,4,4,5,5,6,6-octafluorotridecane
SMILESCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC
InChIInChI=1S/C13H20F8/c1-3-5-6-7-8-9-11(16,17)13(20,21)12(18,19)10(14,15)4-2/h3-9H2,1-2H3
InChIKeyKDUAITXEVVZHFK-UHFFFAOYSA-N
MW328.29 g/mol
LogP6.30
Rot. Bonds10

About 3,3,4,4,5,5,6,6-octafluorotridecane

3,3,4,4,5,5,6,6-octafluorotridecane (PubChem CID 121404861) has the molecular formula C13H20F8 and a molecular weight of 328.29 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluorotridecane.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluorotridecane
PubChem CID121404861
Molecular FormulaC13H20F8
Molecular Weight328.29 g/mol
Exact Mass328.14
IUPAC Name3,3,4,4,5,5,6,6-octafluorotridecane
SMILESCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC
InChIInChI=1S/C13H20F8/c1-3-5-6-7-8-9-11(16,17)13(20,21)12(18,19)10(14,15)4-2/h3-9H2,1-2H3
InChIKeyKDUAITXEVVZHFK-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.29
LogP ≤ 56.30
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

9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-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-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
1,2,2,3,3,4,4-heptafluorononane-1,1-diol
CID 152701783
1,1,1,2,2-pentafluorononadecane
CID 98452406
9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
CID 121403458
1,1,2,2,3,3,4,4-octafluorodecane
CID 10613179

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6-octafluorotridecane?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluorotridecane (CID 121404861) is 3,3,4,4,5,5,6,6-octafluorotridecane.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluorotridecane?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluorotridecane is CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluorotridecane?
The InChIKey is KDUAITXEVVZHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F8/c1-3-5-6-7-8-9-11(16,17)13(20,21)12(18,19)10(14,15)4-2/h3-9H2,1-2H3.
What are the key properties of 3,3,4,4,5,5,6,6-octafluorotridecane?
3,3,4,4,5,5,6,6-octafluorotridecane has a molecular weight of 328.29 g/mol, XLogP of 6.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluorotridecane is sourced from PubChem (CID 121404861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).