(1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane

C19H22F6OSi — CID 173235319

IUPAC(1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1c(F)c(F)c2cc(F)c(F)c(F)c2c1F)(C(C)C)C(C)C
InChIInChI=1S/C19H22F6OSi/c1-8(2)27(9(3)4,10(5)6)26-19-17(24)13-11(14(21)18(19)25)7-12(20)15(22)16(13)23/h7-10H,1-6H3
InChIKeyYQQGIGLCQFQARQ-UHFFFAOYSA-N
MW408.46 g/mol
LogP7.23
Rot. Bonds5

About (1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane

(1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane (PubChem CID 173235319) has the molecular formula C19H22F6OSi and a molecular weight of 408.46 g/mol. Its IUPAC name is (1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
PubChem CID173235319
Molecular FormulaC19H22F6OSi
Molecular Weight408.46 g/mol
Exact Mass408.13
IUPAC Name(1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1c(F)c(F)c2cc(F)c(F)c(F)c2c1F)(C(C)C)C(C)C
InChIInChI=1S/C19H22F6OSi/c1-8(2)27(9(3)4,10(5)6)26-19-17(24)13-11(14(21)18(19)25)7-12(20)15(22)16(13)23/h7-10H,1-6H3
InChIKeyYQQGIGLCQFQARQ-UHFFFAOYSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)oxy-tri(propan-2-yl)silane
CID 141045179
(1,2,3,4,6,7-hexafluoro-1H-inden-5-yl)oxy-tri(propan-2-yl)silane
CID 173235380
cyclohexyl-(3-ethylnonyl)-(1,3,4,5,6,7,9,10-octafluoroanthracen-2-yl)oxy-propan-2-ylsilane
CID 173235715
1-[5-bromo-3-fluoro-2-tri(propan-2-yl)silyloxyphenyl]ethanol
CID 70979667
(6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane
CID 173235389
[4-[4,6-bis[2,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]-1,3,5-triazin-2-yl]-2,5-difluorophenoxy]-tri(propan-2-yl)silane
CID 177453347
tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
CID 22637409
(2,6-dichlorophenoxy)-tri(propan-2-yl)silane
CID 54182108
3-chloro-6,7,8-trifluoroisoquinoline
CID 165442306
2,6-difluoro-3-methyl-5-tri(propan-2-yl)silyloxybenzoic acid
CID 89443690
1,2,3,5-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167118771
N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine
CID 139965885

Frequently Asked Questions

What is the IUPAC name of (1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane (CID 173235319) is (1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane is CC(C)[Si](Oc1c(F)c(F)c2cc(F)c(F)c(F)c2c1F)(C(C)C)C(C)C.
What is the InChIKey of (1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is YQQGIGLCQFQARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F6OSi/c1-8(2)27(9(3)4,10(5)6)26-19-17(24)13-11(14(21)18(19)25)7-12(20)15(22)16(13)23/h7-10H,1-6H3.
What are the key properties of (1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
(1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 408.46 g/mol, XLogP of 7.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,4,6,7,8-hexafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 173235319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).