1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane

C13F30OSi — CID 141429522

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane
SMILESFC(F)(F)O[Si](C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13F30OSi/c14-1(15,3(18,19)5(22,23)7(26,27)9(30,31)32)2(16,17)4(20,21)6(24,25)8(28,29)10(33,34)45(12(38,39)40,13(41,42)43)44-11(35,36)37
InChIKeyWRDRHQUGPAATGG-UHFFFAOYSA-N
MW770.17 g/mol
LogP9.49
Rot. Bonds10

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane (PubChem CID 141429522) has the molecular formula C13F30OSi and a molecular weight of 770.17 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane
PubChem CID141429522
Molecular FormulaC13F30OSi
Molecular Weight770.17 g/mol
Exact Mass769.92
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane
SMILESFC(F)(F)O[Si](C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13F30OSi/c14-1(15,3(18,19)5(22,23)7(26,27)9(30,31)32)2(16,17)4(20,21)6(24,25)8(28,29)10(33,34)45(12(38,39)40,13(41,42)43)44-11(35,36)37
InChIKeyWRDRHQUGPAATGG-UHFFFAOYSA-N
XLogP9.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.17
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane with MolForge

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Related Compounds

1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane
CID 87608961
ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(trifluoromethoxy)silane
CID 174994640
1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane
CID 139908301
1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononan-3-yl tris(trifluoromethyl) silicate
CID 164522794
dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane
CID 141389193
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane
CID 175552208
dichloro-fluoro-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoroheptadecyl)silane
CID 90422011
1-[diamino(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)silyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
CID 172721781
trichloro(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontafluorohexadecyl)silane
CID 155573710
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl(trihydroxy)silane
CID 22610622

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane (CID 141429522) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane is FC(F)(F)O[Si](C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane?
The InChIKey is WRDRHQUGPAATGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F30OSi/c14-1(15,3(18,19)5(22,23)7(26,27)9(30,31)32)2(16,17)4(20,21)6(24,25)8(28,29)10(33,34)45(12(38,39)40,13(41,42)43)44-11(35,36)37.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane has a molecular weight of 770.17 g/mol, XLogP of 9.49, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane is sourced from PubChem (CID 141429522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).