1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane

C16H29F5O5Si — CID 90944536

IUPAC1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane
SMILESCO[Si](C)(C)OC.OC(F)(OCOC(CF)C1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C12H17F5O3.C4H12O2Si/c13-5-10(9-4-7-1-2-8(9)3-7)19-6-20-12(17,18)11(14,15)16;1-5-7(3,4)6-2/h7-10,18H,1-6H2;1-4H3
InChIKeySBVZGIYVDCRPJH-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.91
Rot. Bonds8

About 1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane

1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane (PubChem CID 90944536) has the molecular formula C16H29F5O5Si and a molecular weight of 424.48 g/mol. Its IUPAC name is 1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane.

Molecular Properties

Compound Name1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane
PubChem CID90944536
Molecular FormulaC16H29F5O5Si
Molecular Weight424.48 g/mol
Exact Mass424.17
IUPAC Name1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane
SMILESCO[Si](C)(C)OC.OC(F)(OCOC(CF)C1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C12H17F5O3.C4H12O2Si/c13-5-10(9-4-7-1-2-8(9)3-7)19-6-20-12(17,18)11(14,15)16;1-5-7(3,4)6-2/h7-10,18H,1-6H2;1-4H3
InChIKeySBVZGIYVDCRPJH-UHFFFAOYSA-N
XLogP3.91
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane
CID 91082671
[(2S)-2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methoxyethyl] acetate
CID 118564593
2-[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butoxy]-1,1-difluoro-2-oxoethanesulfonic acid
CID 88902108
[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 146882115
2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane
CID 58636264
2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 58958840
2-bicyclo[2.2.1]heptanyl-dimethoxy-methylsilane
CID 54452110
[2-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylpentan-2-yloxy)ethyl] 2,2-dimethylbutanoate
CID 138601287
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine
CID 103032021

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane?
The IUPAC name of 1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane (CID 90944536) is 1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane.
What is the SMILES notation for 1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane?
The canonical SMILES for 1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane is CO[Si](C)(C)OC.OC(F)(OCOC(CF)C1CC2CCC1C2)C(F)(F)F.
What is the InChIKey of 1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane?
The InChIKey is SBVZGIYVDCRPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F5O3.C4H12O2Si/c13-5-10(9-4-7-1-2-8(9)3-7)19-6-20-12(17,18)11(14,15)16;1-5-7(3,4)6-2/h7-10,18H,1-6H2;1-4H3.
What are the key properties of 1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane?
1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane has a molecular weight of 424.48 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane is sourced from PubChem (CID 90944536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).