8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol

C13H15F13O2 — CID 162348481

IUPAC8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol
SMILESOCCCCCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F13O2/c14-8(15,6-7(28)4-2-1-3-5-27)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h7,27-28H,1-6H2
InChIKeyPTZSLYGITFOWAS-UHFFFAOYSA-N
MW450.24 g/mol
LogP5.03
Rot. Bonds11

About 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol

8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol (PubChem CID 162348481) has the molecular formula C13H15F13O2 and a molecular weight of 450.24 g/mol. Its IUPAC name is 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol.

Molecular Properties

Compound Name8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol
PubChem CID162348481
Molecular FormulaC13H15F13O2
Molecular Weight450.24 g/mol
Exact Mass450.09
IUPAC Name8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol
SMILESOCCCCCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F13O2/c14-8(15,6-7(28)4-2-1-3-5-27)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h7,27-28H,1-6H2
InChIKeyPTZSLYGITFOWAS-UHFFFAOYSA-N
XLogP5.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.24
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1,1,2,2-Tetrahydroperfluoro-1-decanol
CID 69619
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol
CID 69537
1-Nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-
CID 9779
2-(Perfluorodecyl)ethanol
CID 70083
1H,1H,10H,10H-perfluorodecane-1,10-diol
CID 2733404
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Icosafluoroundecan-1-ol
CID 67548
1H,1H,8H-Perfluoro-1-octanol
CID 2776291
(Perfluoroheptyl)methanol
CID 67543
1-Octadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluoro-
CID 103202
2-(Perfluorotetradecyl)ethanol
CID 108999
2-(Perfluorododecyl)ethanol
CID 162368
8:1 Fluorotelomer alcohol
CID 533991

Frequently Asked Questions

What is the IUPAC name of 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol?
The IUPAC name of 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol (CID 162348481) is 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol.
What is the SMILES notation for 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol?
The canonical SMILES for 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol is OCCCCCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol?
The InChIKey is PTZSLYGITFOWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F13O2/c14-8(15,6-7(28)4-2-1-3-5-27)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h7,27-28H,1-6H2.
What are the key properties of 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol?
8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol has a molecular weight of 450.24 g/mol, XLogP of 5.03, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol is sourced from PubChem (CID 162348481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).