1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane

C13H8F20 — CID 142738894

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
SMILESCCCC(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)F
InChIInChI=1S/C13H8F20/c1-2-3-4(14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)33/h4H,2-3H2,1H3
InChIKeyABUUHIUXEIDIPU-UHFFFAOYSA-N
MW544.17 g/mol
LogP7.77
Rot. Bonds10

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane (PubChem CID 142738894) has the molecular formula C13H8F20 and a molecular weight of 544.17 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
PubChem CID142738894
Molecular FormulaC13H8F20
Molecular Weight544.17 g/mol
Exact Mass544.03
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
SMILESCCCC(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)F
InChIInChI=1S/C13H8F20/c1-2-3-4(14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)33/h4H,2-3H2,1H3
InChIKeyABUUHIUXEIDIPU-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.17
LogP ≤ 57.77
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

1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorodecane
CID 175798759
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13-tetracosafluorohexadecane-1,1-diol
CID 141306811
1,2,2,3,3,4-hexafluoroheptane-1,1-diol
CID 141036292
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorodecane-1-sulfonate
CID 122481694
1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane
CID 123425795
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluoroicosan-1-ol
CID 54151908
1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane
CID 175517627
triethoxy(2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodecyl)silane
CID 21254451
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-icosafluorododecanoic acid
CID 139595127
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoroundecane-1-sulfonate;tetraethylazanium
CID 122481866
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane
CID 177342292
1,1,2-trifluoropentan-1-amine
CID 22597200

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane (CID 142738894) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane is CCCC(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)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane?
The InChIKey is ABUUHIUXEIDIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F20/c1-2-3-4(14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)33/h4H,2-3H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane has a molecular weight of 544.17 g/mol, XLogP of 7.77, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane is sourced from PubChem (CID 142738894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).