(3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane

C15F21NO3Si — CID 175407515

IUPAC(3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane
SMILESFc1c(F)c(F)c2c(F)c(F)c([Si](OC(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F)nc2c1F
InChIInChI=1S/C15F21NO3Si/c16-2-1-3(17)7(21)9(37-8(1)6(20)5(19)4(2)18)41(38-13(31,32)10(22,23)24,39-14(33,34)11(25,26)27)40-15(35,36)12(28,29)30
InChIKeyJJZWYNPKBFKLOW-UHFFFAOYSA-N
MW669.21 g/mol
LogP6.73
Rot. Bonds7

About (3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane

(3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane (PubChem CID 175407515) has the molecular formula C15F21NO3Si and a molecular weight of 669.21 g/mol. Its IUPAC name is (3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane.

Molecular Properties

Compound Name(3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane
PubChem CID175407515
Molecular FormulaC15F21NO3Si
Molecular Weight669.21 g/mol
Exact Mass668.93
IUPAC Name(3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane
SMILESFc1c(F)c(F)c2c(F)c(F)c([Si](OC(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F)nc2c1F
InChIInChI=1S/C15F21NO3Si/c16-2-1-3(17)7(21)9(37-8(1)6(20)5(19)4(2)18)41(38-13(31,32)10(22,23)24,39-14(33,34)11(25,26)27)40-15(35,36)12(28,29)30
InChIKeyJJZWYNPKBFKLOW-UHFFFAOYSA-N
XLogP6.73
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.21
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane?
The IUPAC name of (3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane (CID 175407515) is (3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane.
What is the SMILES notation for (3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane?
The canonical SMILES for (3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane is Fc1c(F)c(F)c2c(F)c(F)c([Si](OC(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F)nc2c1F.
What is the InChIKey of (3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane?
The InChIKey is JJZWYNPKBFKLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15F21NO3Si/c16-2-1-3(17)7(21)9(37-8(1)6(20)5(19)4(2)18)41(38-13(31,32)10(22,23)24,39-14(33,34)11(25,26)27)40-15(35,36)12(28,29)30.
What are the key properties of (3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane?
(3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane has a molecular weight of 669.21 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5,6,7,8-hexafluoroquinolin-2-yl)-tris(1,1,2,2,2-pentafluoroethoxy)silane is sourced from PubChem (CID 175407515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).