5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol

C10H9F13O2 — CID 10309791

IUPAC5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol
SMILESOCC(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13O2/c11-5(12,2-1-4(25)3-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4,24-25H,1-3H2
InChIKeyUAEMJXPBHSWBQB-UHFFFAOYSA-N
MW408.15 g/mol
LogP3.86
Rot. Bonds8

About 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol

5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol (PubChem CID 10309791) has the molecular formula C10H9F13O2 and a molecular weight of 408.15 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol
PubChem CID10309791
Molecular FormulaC10H9F13O2
Molecular Weight408.15 g/mol
Exact Mass408.04
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol
SMILESOCC(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13O2/c11-5(12,2-1-4(25)3-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4,24-25H,1-3H2
InChIKeyUAEMJXPBHSWBQB-UHFFFAOYSA-N
XLogP3.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.15
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol (CID 10309791) is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol is OCC(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol?
The InChIKey is UAEMJXPBHSWBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F13O2/c11-5(12,2-1-4(25)3-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4,24-25H,1-3H2.
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol?
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol has a molecular weight of 408.15 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol is sourced from PubChem (CID 10309791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).