1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane

C14H4F26O — CID 87548605

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane
SMILESFC(F)(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)F
InChIInChI=1S/C14H4F26O/c15-3(16,5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37)1-41-2-4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(38,39)40/h1-2H2
InChIKeyATQSJQJKLZUDTB-UHFFFAOYSA-N
MW682.13 g/mol
LogP8.48
Rot. Bonds12

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane (PubChem CID 87548605) has the molecular formula C14H4F26O and a molecular weight of 682.13 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane
PubChem CID87548605
Molecular FormulaC14H4F26O
Molecular Weight682.13 g/mol
Exact Mass681.98
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane
SMILESFC(F)(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)F
InChIInChI=1S/C14H4F26O/c15-3(16,5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37)1-41-2-4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(38,39)40/h1-2H2
InChIKeyATQSJQJKLZUDTB-UHFFFAOYSA-N
XLogP8.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.13
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

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CID 44480565
1,1,1,2,2,3,3,4,4-Nonafluoro-6-(pentyloxy)hexane
CID 44480566
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-propoxyoctane
CID 44480567
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
CID 44480568
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-[(prop-2-yn-1-yl)oxy]octane
CID 125488954
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
6-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 85753373
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-(trifluoromethoxy)heptane
CID 98454527
Ethyl perfluoroheptyl ether
CID 9909702
(Perfluorohexyl)ethyl ether
CID 87277022

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane (CID 87548605) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane is FC(F)(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)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane?
The InChIKey is ATQSJQJKLZUDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F26O/c15-3(16,5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37)1-41-2-4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(38,39)40/h1-2H2.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane has a molecular weight of 682.13 g/mol, XLogP of 8.48, 12 rotatable bonds, 0 hydrogen bond donors, and 1 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-7-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)heptane is sourced from PubChem (CID 87548605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).