1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane

C7H5F11 — CID 11102375

IUPAC1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane
SMILESCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F11/c1-2-3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2H2,1H3
InChIKeyADXRMDFVKSPFQM-UHFFFAOYSA-N
MW298.10 g/mol
LogP4.50
Rot. Bonds4

About 1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane

1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane (PubChem CID 11102375) has the molecular formula C7H5F11 and a molecular weight of 298.10 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane
PubChem CID11102375
Molecular FormulaC7H5F11
Molecular Weight298.10 g/mol
Exact Mass298.02
IUPAC Name1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane
SMILESCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F11/c1-2-3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2H2,1H3
InChIKeyADXRMDFVKSPFQM-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 54.50
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-undecafluoroheptane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane (CID 11102375) is 1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane is CCC(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-undecafluoroheptane?
The InChIKey is ADXRMDFVKSPFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11/c1-2-3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane?
1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane has a molecular weight of 298.10 g/mol, XLogP of 4.50, 4 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-undecafluoroheptane is sourced from PubChem (CID 11102375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).