[(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane

C14H19BrFNOSi — CID 102377626

IUPAC[(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane
SMILESC[Si](C)(C)C[C@@H]1C[C@@H](Br)C(c2ccc(F)cc2)=NO1
InChIInChI=1S/C14H19BrFNOSi/c1-19(2,3)9-12-8-13(15)14(17-18-12)10-4-6-11(16)7-5-10/h4-7,12-13H,8-9H2,1-3H3/t12-,13+/m0/s1
InChIKeyXZSBBNIQFZWUGJ-QWHCGFSZSA-N
MW344.30 g/mol
LogP4.42
Rot. Bonds3

About [(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane

[(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane (PubChem CID 102377626) has the molecular formula C14H19BrFNOSi and a molecular weight of 344.30 g/mol. Its IUPAC name is [(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane
PubChem CID102377626
Molecular FormulaC14H19BrFNOSi
Molecular Weight344.30 g/mol
Exact Mass343.04
IUPAC Name[(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane
SMILESC[Si](C)(C)C[C@@H]1C[C@@H](Br)C(c2ccc(F)cc2)=NO1
InChIInChI=1S/C14H19BrFNOSi/c1-19(2,3)9-12-8-13(15)14(17-18-12)10-4-6-11(16)7-5-10/h4-7,12-13H,8-9H2,1-3H3/t12-,13+/m0/s1
InChIKeyXZSBBNIQFZWUGJ-QWHCGFSZSA-N
XLogP4.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11035315
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CID 99993934
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CID 99993938
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Frequently Asked Questions

What is the IUPAC name of [(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane?
The IUPAC name of [(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane (CID 102377626) is [(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane.
What is the SMILES notation for [(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane?
The canonical SMILES for [(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane is C[Si](C)(C)C[C@@H]1C[C@@H](Br)C(c2ccc(F)cc2)=NO1.
What is the InChIKey of [(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane?
The InChIKey is XZSBBNIQFZWUGJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19BrFNOSi/c1-19(2,3)9-12-8-13(15)14(17-18-12)10-4-6-11(16)7-5-10/h4-7,12-13H,8-9H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of [(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane?
[(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane has a molecular weight of 344.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane is sourced from PubChem (CID 102377626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).