4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol

C18H33F9O10Si2 — CID 174085834

IUPAC4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol
SMILESCO[Si](CCCC(O)(CCC[Si](OC)(OC)OC)COC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)F)(OC)OC
InChIInChI=1S/C18H33F9O10Si2/c1-29-38(30-2,31-3)11-7-9-14(28,10-8-12-39(32-4,33-5)34-6)13-35-15(19,20)16(21,22)36-18(26,27)37-17(23,24)25/h28H,7-13H2,1-6H3
InChIKeySYIGSTGHVREYPT-UHFFFAOYSA-N
MW636.61 g/mol
LogP4.34
Rot. Bonds21

About 4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol

4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol (PubChem CID 174085834) has the molecular formula C18H33F9O10Si2 and a molecular weight of 636.61 g/mol. Its IUPAC name is 4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol.

Molecular Properties

Compound Name4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol
PubChem CID174085834
Molecular FormulaC18H33F9O10Si2
Molecular Weight636.61 g/mol
Exact Mass636.15
IUPAC Name4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol
SMILESCO[Si](CCCC(O)(CCC[Si](OC)(OC)OC)COC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)F)(OC)OC
InChIInChI=1S/C18H33F9O10Si2/c1-29-38(30-2,31-3)11-7-9-14(28,10-8-12-39(32-4,33-5)34-6)13-35-15(19,20)16(21,22)36-18(26,27)37-17(23,24)25/h28H,7-13H2,1-6H3
InChIKeySYIGSTGHVREYPT-UHFFFAOYSA-N
XLogP4.34
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.61
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[[1,1-difluoro-2-[2-hydroxy-5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentoxy]ethoxy]-difluoromethoxy]-difluoromethyl]nonan-5-ol
CID 160629572
6,6,8,8,8-pentafluoro-1-trimethoxysilyl-4-(3-trimethoxysilylpropyl)octan-4-ol
CID 160659448
2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide
CID 153452949
2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol
CID 58913824
[2-fluoro-1,5-bis(trimethoxysilyl)pentan-2-yl]oxymethyl-trimethoxysilane
CID 162451503
4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
CID 158894670
3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane
CID 2733757
3-(1,1,2,2,8,8,8-heptafluorooctoxy)propyl-trimethoxysilane
CID 141120987
1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol
CID 140691900
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
[4-[[2-[difluoro(methoxy)methoxy]-2,2-difluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-yl] 5-trimethoxysilyl-2-(3-trimethoxysilylpropyl)pentanoate
CID 167678975
7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one
CID 160918976

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol?
The IUPAC name of 4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol (CID 174085834) is 4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol.
What is the SMILES notation for 4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol?
The canonical SMILES for 4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol is CO[Si](CCCC(O)(CCC[Si](OC)(OC)OC)COC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)F)(OC)OC.
What is the InChIKey of 4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol?
The InChIKey is SYIGSTGHVREYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F9O10Si2/c1-29-38(30-2,31-3)11-7-9-14(28,10-8-12-39(32-4,33-5)34-6)13-35-15(19,20)16(21,22)36-18(26,27)37-17(23,24)25/h28H,7-13H2,1-6H3.
What are the key properties of 4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol?
4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol has a molecular weight of 636.61 g/mol, XLogP of 4.34, 21 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol is sourced from PubChem (CID 174085834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).