(3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane

C13H15FOSi — CID 73042670

IUPAC(3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane
SMILESC[Si](C)(C)C12C=CC(O1)c1cccc(F)c12
InChIInChI=1S/C13H15FOSi/c1-16(2,3)13-8-7-11(15-13)9-5-4-6-10(14)12(9)13/h4-8,11H,1-3H3
InChIKeyKKEGUYOVUAWGMS-UHFFFAOYSA-N
MW234.35 g/mol
LogP3.54
Rot. Bonds1

About (3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane

(3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane (PubChem CID 73042670) has the molecular formula C13H15FOSi and a molecular weight of 234.35 g/mol. Its IUPAC name is (3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane
PubChem CID73042670
Molecular FormulaC13H15FOSi
Molecular Weight234.35 g/mol
Exact Mass234.09
IUPAC Name(3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane
SMILESC[Si](C)(C)C12C=CC(O1)c1cccc(F)c12
InChIInChI=1S/C13H15FOSi/c1-16(2,3)13-8-7-11(15-13)9-5-4-6-10(14)12(9)13/h4-8,11H,1-3H3
InChIKeyKKEGUYOVUAWGMS-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 134858980
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CID 139121419
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(4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
CID 158585991
(1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine]
CID 91095889
2-[(2,6-difluorophenyl)methyl]oxirane
CID 115410452
trans-(1R,2R)-2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine
CID 94419555
2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane
CID 174359153
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
CID 175262813
1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene
CID 130671865

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane?
The IUPAC name of (3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane (CID 73042670) is (3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane.
What is the SMILES notation for (3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane?
The canonical SMILES for (3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane is C[Si](C)(C)C12C=CC(O1)c1cccc(F)c12.
What is the InChIKey of (3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane?
The InChIKey is KKEGUYOVUAWGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FOSi/c1-16(2,3)13-8-7-11(15-13)9-5-4-6-10(14)12(9)13/h4-8,11H,1-3H3.
What are the key properties of (3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane?
(3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane has a molecular weight of 234.35 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-1-yl)-trimethylsilane is sourced from PubChem (CID 73042670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).