(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane

C19H21F7OSi — CID 141045109

IUPAC(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)(C(C)C)C(C)C
InChIInChI=1S/C19H21F7OSi/c1-7(2)28(8(3)4,9(5)6)27-19-15(23)11-10(14(22)18(19)26)12(20)16(24)17(25)13(11)21/h7-9H,1-6H3
InChIKeyDOMNSMVRNJMOMI-UHFFFAOYSA-N
MW426.45 g/mol
LogP7.37
Rot. Bonds5

About (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane

(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane (PubChem CID 141045109) has the molecular formula C19H21F7OSi and a molecular weight of 426.45 g/mol. Its IUPAC name is (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
PubChem CID141045109
Molecular FormulaC19H21F7OSi
Molecular Weight426.45 g/mol
Exact Mass426.12
IUPAC Name(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)(C(C)C)C(C)C
InChIInChI=1S/C19H21F7OSi/c1-7(2)28(8(3)4,9(5)6)27-19-15(23)11-10(14(22)18(19)26)12(20)16(24)17(25)13(11)21/h7-9H,1-6H3
InChIKeyDOMNSMVRNJMOMI-UHFFFAOYSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.45
LogP ≤ 57.37
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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Frequently Asked Questions

What is the IUPAC name of (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane (CID 141045109) is (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane is CC(C)[Si](Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)(C(C)C)C(C)C.
What is the InChIKey of (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is DOMNSMVRNJMOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F7OSi/c1-7(2)28(8(3)4,9(5)6)27-19-15(23)11-10(14(22)18(19)26)12(20)16(24)17(25)13(11)21/h7-9H,1-6H3.
What are the key properties of (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane?
(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 426.45 g/mol, XLogP of 7.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 141045109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).