1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane

C7F18O3Si — CID 87608961

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane
SMILESFC(F)(F)O[Si](OC(F)(F)F)(OC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F18O3Si/c8-1(9,3(12,13)14)2(10,11)4(15,16)29(26-5(17,18)19,27-6(20,21)22)28-7(23,24)25
InChIKeyPUTBLPLUPLKFPV-UHFFFAOYSA-N
MW502.12 g/mol
LogP5.54
Rot. Bonds6

About 1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane

1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane (PubChem CID 87608961) has the molecular formula C7F18O3Si and a molecular weight of 502.12 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane
PubChem CID87608961
Molecular FormulaC7F18O3Si
Molecular Weight502.12 g/mol
Exact Mass501.93
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane
SMILESFC(F)(F)O[Si](OC(F)(F)F)(OC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F18O3Si/c8-1(9,3(12,13)14)2(10,11)4(15,16)29(26-5(17,18)19,27-6(20,21)22)28-7(23,24)25
InChIKeyPUTBLPLUPLKFPV-UHFFFAOYSA-N
XLogP5.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.12
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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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
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane
CID 141429522
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane;hexane
CID 175549890
difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(1,1,2,2,2-pentafluoroethoxy)silane
CID 172715865
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
1,6-dibromo-1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluorohexadecane
CID 152609331
1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane
CID 139751434
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
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
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 1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane (CID 87608961) is 1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane is FC(F)(F)O[Si](OC(F)(F)F)(OC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane?
The InChIKey is PUTBLPLUPLKFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F18O3Si/c8-1(9,3(12,13)14)2(10,11)4(15,16)29(26-5(17,18)19,27-6(20,21)22)28-7(23,24)25.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane?
1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane has a molecular weight of 502.12 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutyl-tris(trifluoromethoxy)silane is sourced from PubChem (CID 87608961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).