1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane

C14F26O — CID 141298295

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane
SMILESFC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(OC2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C14F26O/c15-1(16)2(17,18)6(25,26)10(33,34)13(39,9(31,32)5(1,23)24)41-14(40)11(35,36)7(27,28)3(19,20)4(21,22)8(29,30)12(14,37)38
InChIKeyDCTUUPJDJGXADE-UHFFFAOYSA-N
MW678.10 g/mol
LogP7.99
Rot. Bonds2

About 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane

1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane (PubChem CID 141298295) has the molecular formula C14F26O and a molecular weight of 678.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane
PubChem CID141298295
Molecular FormulaC14F26O
Molecular Weight678.10 g/mol
Exact Mass677.95
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane
SMILESFC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(OC2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C14F26O/c15-1(16)2(17,18)6(25,26)10(33,34)13(39,9(31,32)5(1,23)24)41-14(40)11(35,36)7(27,28)3(19,20)4(21,22)8(29,30)12(14,37)38
InChIKeyDCTUUPJDJGXADE-UHFFFAOYSA-N
XLogP7.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.10
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane (CID 141298295) is 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane is FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(OC2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane?
The InChIKey is DCTUUPJDJGXADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F26O/c15-1(16)2(17,18)6(25,26)10(33,34)13(39,9(31,32)5(1,23)24)41-14(40)11(35,36)7(27,28)3(19,20)4(21,22)8(29,30)12(14,37)38.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane?
1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane has a molecular weight of 678.10 g/mol, XLogP of 7.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane is sourced from PubChem (CID 141298295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).