4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole

C14H21FOSi — CID 135044537

IUPAC4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole
SMILESCC1O[Si](C(C)C)(C(C)C)c2cccc(F)c21
InChIInChI=1S/C14H21FOSi/c1-9(2)17(10(3)4)13-8-6-7-12(15)14(13)11(5)16-17/h6-11H,1-5H3
InChIKeyRTBPDNACZVMVOH-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.89
Rot. Bonds2

About 4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole

4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole (PubChem CID 135044537) has the molecular formula C14H21FOSi and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole.

Molecular Properties

Compound Name4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole
PubChem CID135044537
Molecular FormulaC14H21FOSi
Molecular Weight252.40 g/mol
Exact Mass252.13
IUPAC Name4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole
SMILESCC1O[Si](C(C)C)(C(C)C)c2cccc(F)c21
InChIInChI=1S/C14H21FOSi/c1-9(2)17(10(3)4)13-8-6-7-12(15)14(13)11(5)16-17/h6-11H,1-5H3
InChIKeyRTBPDNACZVMVOH-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.89
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 4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole?
The IUPAC name of 4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole (CID 135044537) is 4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole.
What is the SMILES notation for 4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole?
The canonical SMILES for 4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole is CC1O[Si](C(C)C)(C(C)C)c2cccc(F)c21.
What is the InChIKey of 4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole?
The InChIKey is RTBPDNACZVMVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FOSi/c1-9(2)17(10(3)4)13-8-6-7-12(15)14(13)11(5)16-17/h6-11H,1-5H3.
What are the key properties of 4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole?
4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole has a molecular weight of 252.40 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole is sourced from PubChem (CID 135044537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).