1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane

C14H17F13 — CID 10477896

💊View drug profile → perfluorohexyloctane
IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane
SMILESCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H17F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-8H2,1H3
InChIKeyWRYIIOKOQSICTB-UHFFFAOYSA-N
MW432.26 g/mol
LogP7.48
Rot. Bonds11

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane (PubChem CID 10477896) has the molecular formula C14H17F13 and a molecular weight of 432.26 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane
PubChem CID10477896
Molecular FormulaC14H17F13
Molecular Weight432.26 g/mol
Exact Mass432.11
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane
SMILESCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H17F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-8H2,1H3
InChIKeyWRYIIOKOQSICTB-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.26
LogP ≤ 57.48
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-Fluorodecane
CID 9541
1-Fluorododecane
CID 9548
1-Fluorooctane
CID 10027
1-Fluorononane
CID 10029
Perfluorohexylethane
CID 2776163
Octane, ethylheptadecafluoro-
CID 53588
1-Fluorotetradecane
CID 79053
1-(Perfluorohexyl)decane
CID 197559
1-(Perfluoro-n-octyl)dodecane
CID 2782209
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorotetracosane
CID 2782212
2-Iodo-1-(perfluorohex-1-yl)octane
CID 13680172
Perfluorobutylpentane
CID 22002932

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane (CID 10477896) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane is CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane?
The InChIKey is WRYIIOKOQSICTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-8H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane has a molecular weight of 432.26 g/mol, XLogP of 7.48, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane is sourced from PubChem (CID 10477896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).