1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane

C10H9F13 — CID 22011095

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane
SMILESCC(C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13/c1-4(2)3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4H,3H2,1-2H3
InChIKeyWNCBRAVUJRPMCO-UHFFFAOYSA-N
MW376.16 g/mol
LogP5.77
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane (PubChem CID 22011095) has the molecular formula C10H9F13 and a molecular weight of 376.16 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane
PubChem CID22011095
Molecular FormulaC10H9F13
Molecular Weight376.16 g/mol
Exact Mass376.05
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane
SMILESCC(C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13/c1-4(2)3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4H,3H2,1-2H3
InChIKeyWNCBRAVUJRPMCO-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.16
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane (CID 22011095) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane is CC(C)CC(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-tridecafluoro-8-methylnonane?
The InChIKey is WNCBRAVUJRPMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F13/c1-4(2)3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4H,3H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane has a molecular weight of 376.16 g/mol, XLogP of 5.77, 6 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-tridecafluoro-8-methylnonane is sourced from PubChem (CID 22011095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).