1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane

C10H4F18O — CID 23269218

IUPAC1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane
SMILESFC(C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H4F18O/c11-2(6(18,19)20)7(21,22)29-1-4(14,15)8(23,24)10(27,28)9(25,26)5(16,17)3(12)13/h2-3H,1H2
InChIKeyZJIABALXPUNTFM-UHFFFAOYSA-N
MW482.11 g/mol
LogP5.94
Rot. Bonds9

About 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane (PubChem CID 23269218) has the molecular formula C10H4F18O and a molecular weight of 482.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane
PubChem CID23269218
Molecular FormulaC10H4F18O
Molecular Weight482.11 g/mol
Exact Mass482.00
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane
SMILESFC(C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H4F18O/c11-2(6(18,19)20)7(21,22)29-1-4(14,15)8(23,24)10(27,28)9(25,26)5(16,17)3(12)13/h2-3H,1H2
InChIKeyZJIABALXPUNTFM-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.11
LogP ≤ 55.94
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-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane with MolForge

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Related Compounds

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BIS(1,1,2,2-tetrahydroperfluorooctyl) ether
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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 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane (CID 23269218) is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane is FC(C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane?
The InChIKey is ZJIABALXPUNTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F18O/c11-2(6(18,19)20)7(21,22)29-1-4(14,15)8(23,24)10(27,28)9(25,26)5(16,17)3(12)13/h2-3H,1H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane?
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane has a molecular weight of 482.11 g/mol, XLogP of 5.94, 9 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-dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane is sourced from PubChem (CID 23269218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).