1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane

C7H3F13O — CID 22715439

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F13O/c1-21-7(19,20)5(14,15)3(10,11)2(8,9)4(12,13)6(16,17)18/h1H3
InChIKeyBRWBDEIUJSDQGV-UHFFFAOYSA-N
MW350.07 g/mol
LogP4.33
Rot. Bonds5

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane (PubChem CID 22715439) has the molecular formula C7H3F13O and a molecular weight of 350.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane
PubChem CID22715439
Molecular FormulaC7H3F13O
Molecular Weight350.07 g/mol
Exact Mass350.00
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F13O/c1-21-7(19,20)5(14,15)3(10,11)2(8,9)4(12,13)6(16,17)18/h1H3
InChIKeyBRWBDEIUJSDQGV-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.07
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5-Undecafluoro-5-methoxypentane
CID 23432497
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-1,6-dimethoxyhexane
CID 14689853
1,1,1,2,2,3,3,4,4,5,5,6-Dodecafluoro-6-methoxyhexane
CID 14272785
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-methoxycyclohexane
CID 9796774
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-(trifluoromethoxy)hexane
CID 23235123
Methyl perfluoroheptyl ether
CID 23432505
1,2,2,3,3,4,4,5,5-Nonafluoro-6-methoxyhexane
CID 57638426
1,1,2,2,3,3,4,4,5,5-Decafluoro-1-methoxyhexane
CID 57831808
1,1,1,2,2,3,3,4,4-Nonafluoro-6-methoxyhexane
CID 58983886
Methyl 1H,1H-perfluorohexyl ether
CID 71669115
1,1,2,2,3-Pentafluoro-1-methoxyhexane
CID 88195502
1,1,1,6,6-Pentafluoro-6-methoxyhexane
CID 88195506

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane (CID 22715439) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane is COC(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-6-methoxyhexane?
The InChIKey is BRWBDEIUJSDQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F13O/c1-21-7(19,20)5(14,15)3(10,11)2(8,9)4(12,13)6(16,17)18/h1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-methoxyhexane has a molecular weight of 350.07 g/mol, XLogP of 4.33, 5 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-6-methoxyhexane is sourced from PubChem (CID 22715439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).