(7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane

C25H29FOSi — CID 173235271

IUPAC(7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cc2ccc3cc(F)cc4ccc(c1)c2c34)(C(C)C)C(C)C
InChIInChI=1S/C25H29FOSi/c1-15(2)28(16(3)4,17(5)6)27-23-13-20-9-7-18-11-22(26)12-19-8-10-21(14-23)25(20)24(18)19/h7-17H,1-6H3
InChIKeyZWSIJPWZPHZGPA-UHFFFAOYSA-N
MW392.59 g/mol
LogP8.28
Rot. Bonds5

About (7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane

(7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane (PubChem CID 173235271) has the molecular formula C25H29FOSi and a molecular weight of 392.59 g/mol. Its IUPAC name is (7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane
PubChem CID173235271
Molecular FormulaC25H29FOSi
Molecular Weight392.59 g/mol
Exact Mass392.20
IUPAC Name(7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cc2ccc3cc(F)cc4ccc(c1)c2c34)(C(C)C)C(C)C
InChIInChI=1S/C25H29FOSi/c1-15(2)28(16(3)4,17(5)6)27-23-13-20-9-7-18-11-22(26)12-19-8-10-21(14-23)25(20)24(18)19/h7-17H,1-6H3
InChIKeyZWSIJPWZPHZGPA-UHFFFAOYSA-N
XLogP8.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane (CID 173235271) is (7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane is CC(C)[Si](Oc1cc2ccc3cc(F)cc4ccc(c1)c2c34)(C(C)C)C(C)C.
What is the InChIKey of (7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is ZWSIJPWZPHZGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FOSi/c1-15(2)28(16(3)4,17(5)6)27-23-13-20-9-7-18-11-22(26)12-19-8-10-21(14-23)25(20)24(18)19/h7-17H,1-6H3.
What are the key properties of (7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane?
(7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 392.59 g/mol, XLogP of 8.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 173235271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).