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

C25H29FOSi — CID 173235389

IUPAC(6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cc2ccc3ccc(F)c4ccc(c1)c2c34)(C(C)C)C(C)C
InChIInChI=1S/C25H29FOSi/c1-15(2)28(16(3)4,17(5)6)27-21-13-19-8-7-18-10-12-23(26)22-11-9-20(14-21)24(19)25(18)22/h7-17H,1-6H3
InChIKeySAPBTOXSQHESAH-UHFFFAOYSA-N
MW392.59 g/mol
LogP8.28
Rot. Bonds5

About (6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane

(6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane (PubChem CID 173235389) has the molecular formula C25H29FOSi and a molecular weight of 392.59 g/mol. Its IUPAC name is (6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane
PubChem CID173235389
Molecular FormulaC25H29FOSi
Molecular Weight392.59 g/mol
Exact Mass392.20
IUPAC Name(6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cc2ccc3ccc(F)c4ccc(c1)c2c34)(C(C)C)C(C)C
InChIInChI=1S/C25H29FOSi/c1-15(2)28(16(3)4,17(5)6)27-21-13-19-8-7-18-10-12-23(26)22-11-9-20(14-21)24(19)25(18)22/h7-17H,1-6H3
InChIKeySAPBTOXSQHESAH-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 (6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane (CID 173235389) is (6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane is CC(C)[Si](Oc1cc2ccc3ccc(F)c4ccc(c1)c2c34)(C(C)C)C(C)C.
What is the InChIKey of (6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is SAPBTOXSQHESAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FOSi/c1-15(2)28(16(3)4,17(5)6)27-21-13-19-8-7-18-10-12-23(26)22-11-9-20(14-21)24(19)25(18)22/h7-17H,1-6H3.
What are the key properties of (6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane?
(6-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 (6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 173235389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).