(3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane

C18H27FOSi — CID 173235315

IUPAC(3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cccc2c1C(F)C=C2)(C(C)C)C(C)C
InChIInChI=1S/C18H27FOSi/c1-12(2)21(13(3)4,14(5)6)20-17-9-7-8-15-10-11-16(19)18(15)17/h7-14,16H,1-6H3
InChIKeyPIBAGPGNYJQXSZ-UHFFFAOYSA-N
MW306.50 g/mol
LogP6.28
Rot. Bonds5

About (3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane

(3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane (PubChem CID 173235315) has the molecular formula C18H27FOSi and a molecular weight of 306.50 g/mol. Its IUPAC name is (3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane
PubChem CID173235315
Molecular FormulaC18H27FOSi
Molecular Weight306.50 g/mol
Exact Mass306.18
IUPAC Name(3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cccc2c1C(F)C=C2)(C(C)C)C(C)C
InChIInChI=1S/C18H27FOSi/c1-12(2)21(13(3)4,14(5)6)20-17-9-7-8-15-10-11-16(19)18(15)17/h7-14,16H,1-6H3
InChIKeyPIBAGPGNYJQXSZ-UHFFFAOYSA-N
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.50
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane (CID 173235315) is (3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane is CC(C)[Si](Oc1cccc2c1C(F)C=C2)(C(C)C)C(C)C.
What is the InChIKey of (3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is PIBAGPGNYJQXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FOSi/c1-12(2)21(13(3)4,14(5)6)20-17-9-7-8-15-10-11-16(19)18(15)17/h7-14,16H,1-6H3.
What are the key properties of (3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane?
(3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 306.50 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3H-inden-4-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 173235315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).