7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane

C14H6F24O — CID 86044730

IUPAC7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H6F24O/c15-3(16)7(23,24)11(31,32)13(35,36)9(27,28)5(19,20)1-39-2-6(21,22)10(29,30)14(37,38)12(33,34)8(25,26)4(17)18/h3-4H,1-2H2
InChIKeyHUEMKPPBASYOTB-UHFFFAOYSA-N
MW646.15 g/mol
LogP7.89
Rot. Bonds14

About 7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane

7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane (PubChem CID 86044730) has the molecular formula C14H6F24O and a molecular weight of 646.15 g/mol. Its IUPAC name is 7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane.

Molecular Properties

Compound Name7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
PubChem CID86044730
Molecular FormulaC14H6F24O
Molecular Weight646.15 g/mol
Exact Mass646.00
IUPAC Name7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H6F24O/c15-3(16)7(23,24)11(31,32)13(35,36)9(27,28)5(19,20)1-39-2-6(21,22)10(29,30)14(37,38)12(33,34)8(25,26)4(17)18/h3-4H,1-2H2
InChIKeyHUEMKPPBASYOTB-UHFFFAOYSA-N
XLogP7.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.15
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
The IUPAC name of 7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane (CID 86044730) is 7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane.
What is the SMILES notation for 7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
The canonical SMILES for 7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
The InChIKey is HUEMKPPBASYOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F24O/c15-3(16)7(23,24)11(31,32)13(35,36)9(27,28)5(19,20)1-39-2-6(21,22)10(29,30)14(37,38)12(33,34)8(25,26)4(17)18/h3-4H,1-2H2.
What are the key properties of 7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane has a molecular weight of 646.15 g/mol, XLogP of 7.89, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane is sourced from PubChem (CID 86044730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).