1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane

C21H35F5O3Si — CID 91082671

IUPAC1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane
SMILESC[Si](C)(C)C.OC(F)(OCOC(CF)C1CC2CC1C1C3CCC(C3)C21)C(F)(F)F
InChIInChI=1S/C17H23F5O3.C4H12Si/c18-6-13(24-7-25-17(22,23)16(19,20)21)11-4-10-5-12(11)15-9-2-1-8(3-9)14(10)15;1-5(2,3)4/h8-15,23H,1-7H2;1-4H3
InChIKeyQQWOPOLCFOPYMU-UHFFFAOYSA-N
MW458.58 g/mol
LogP5.77
Rot. Bonds6

About 1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane

1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane (PubChem CID 91082671) has the molecular formula C21H35F5O3Si and a molecular weight of 458.58 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane
PubChem CID91082671
Molecular FormulaC21H35F5O3Si
Molecular Weight458.58 g/mol
Exact Mass458.23
IUPAC Name1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane
SMILESC[Si](C)(C)C.OC(F)(OCOC(CF)C1CC2CC1C1C3CCC(C3)C21)C(F)(F)F
InChIInChI=1S/C17H23F5O3.C4H12Si/c18-6-13(24-7-25-17(22,23)16(19,20)21)11-4-10-5-12(11)15-9-2-1-8(3-9)14(10)15;1-5(2,3)4/h8-15,23H,1-7H2;1-4H3
InChIKeyQQWOPOLCFOPYMU-UHFFFAOYSA-N
XLogP5.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'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-[[1-(2-bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol;dimethoxy(dimethyl)silane
CID 90944536
1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-methylpropane
CID 91518589
4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane
CID 91153537
4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91325104
1,1,1,3,3-pentafluorobutan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 71263581
1,1,1,2-tetrafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonic acid
CID 59409403
4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 89368912
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91014732
ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol
CID 159961877
(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 130857696
4-(2,2-difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 58436095

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane?
The IUPAC name of 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) is 1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane is C[Si](C)(C)C.OC(F)(OCOC(CF)C1CC2CC1C1C3CCC(C3)C21)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane?
The InChIKey is QQWOPOLCFOPYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F5O3.C4H12Si/c18-6-13(24-7-25-17(22,23)16(19,20)21)11-4-10-5-12(11)15-9-2-1-8(3-9)14(10)15;1-5(2,3)4/h8-15,23H,1-7H2;1-4H3.
What are the key properties of 1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane?
1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane has a molecular weight of 458.58 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-1-[[2-fluoro-1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]methoxy]ethanol;tetramethylsilane is sourced from PubChem (CID 91082671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).