1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane

C8H6F12O2 — CID 14689853

IUPAC1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC
InChIInChI=1S/C8H6F12O2/c1-21-7(17,18)5(13,14)3(9,10)4(11,12)6(15,16)8(19,20)22-2/h1-2H3
InChIKeyXCHCENKTLKDVFD-UHFFFAOYSA-N
MW362.11 g/mol
LogP4.01
Rot. Bonds7

About 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane (PubChem CID 14689853) has the molecular formula C8H6F12O2 and a molecular weight of 362.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane
PubChem CID14689853
Molecular FormulaC8H6F12O2
Molecular Weight362.11 g/mol
Exact Mass362.02
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC
InChIInChI=1S/C8H6F12O2/c1-21-7(17,18)5(13,14)3(9,10)4(11,12)6(15,16)8(19,20)22-2/h1-2H3
InChIKeyXCHCENKTLKDVFD-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.11
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-methoxyhexane
CID 22715439
6-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 85753373
(Perfluorohexyl)ethyl ether
CID 87277022
Methyl dodecafluoroheptyl ether
CID 129763205
2,2,3,3,4,4,5,5-Octafluoro-1,6-dimethoxyhexane
CID 15219188
6-Ethoxy-1,1,1,2,2,3,3,4,4,5,6,6-dodecafluorohexane
CID 53838958
1,1,2,2,3,3,4,4,5,5-Decafluoro-1-methoxyhexane
CID 57831808
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-1-methoxyheptane
CID 57831812
1-Ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 87472295
6-Ethoxy-1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorohexane
CID 87472296
1-[(Z)-1,2-difluoro-2-methoxyethenoxy]-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 132148997
1,1,2,2,3,3,4,4,5,6,6,6-Dodecafluoro-1-methoxyhexane
CID 139987790

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane (CID 14689853) is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane is COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane?
The InChIKey is XCHCENKTLKDVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O2/c1-21-7(17,18)5(13,14)3(9,10)4(11,12)6(15,16)8(19,20)22-2/h1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane?
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane has a molecular weight of 362.11 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-dimethoxyhexane is sourced from PubChem (CID 14689853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).