1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane

C13H13F15O — CID 168817953

IUPAC1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane
SMILESCC(C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F15O/c1-6(2,3)4-5-7(14,15)8(16,17)9(18,19)13(27,28)29-10(20,11(21,22)23)12(24,25)26/h4-5H2,1-3H3
InChIKeySEFZOFXARRZKHS-UHFFFAOYSA-N
MW470.22 g/mol
LogP7.12
Rot. Bonds7

About 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane

1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane (PubChem CID 168817953) has the molecular formula C13H13F15O and a molecular weight of 470.22 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane
PubChem CID168817953
Molecular FormulaC13H13F15O
Molecular Weight470.22 g/mol
Exact Mass470.07
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane
SMILESCC(C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F15O/c1-6(2,3)4-5-7(14,15)8(16,17)9(18,19)13(27,28)29-10(20,11(21,22)23)12(24,25)26/h4-5H2,1-3H3
InChIKeySEFZOFXARRZKHS-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.22
LogP ≤ 57.12
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-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane with MolForge

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Related Compounds

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CID 118124202
1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene
CID 167303617
1,2,3,4,5-pentafluoro-6-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene
CID 101047022
1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane
CID 155372956
1,1,2,2,3,3,4,4-octafluoro-1,4-bis[[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoro-2-iodoethoxy)propan-2-yl]oxy]butane
CID 139632990
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane
CID 87932263
(Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 138396238
6-azido-1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2,2-pentafluoroethoxy)hexane
CID 162536028
1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane
CID 89491520
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)hexanethioic S-acid
CID 154358166
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)propan-2-yl]oxypropane
CID 101149053
1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane
CID 174993252

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane (CID 168817953) is 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane is CC(C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane?
The InChIKey is SEFZOFXARRZKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F15O/c1-6(2,3)4-5-7(14,15)8(16,17)9(18,19)13(27,28)29-10(20,11(21,22)23)12(24,25)26/h4-5H2,1-3H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane?
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane has a molecular weight of 470.22 g/mol, XLogP of 7.12, 7 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-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane is sourced from PubChem (CID 168817953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).