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

C14H19BrFNOSi — CID 11035315

IUPAC[(4S,6R)-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+/m1/s1
InChIKeyXZSBBNIQFZWUGJ-OLZOCXBDSA-N
MW344.30 g/mol
LogP4.42
Rot. Bonds3

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

[(4S,6R)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane (PubChem CID 11035315) has the molecular formula C14H19BrFNOSi and a molecular weight of 344.30 g/mol. Its IUPAC name is [(4S,6R)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[(4S,6R)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane
PubChem CID11035315
Molecular FormulaC14H19BrFNOSi
Molecular Weight344.30 g/mol
Exact Mass343.04
IUPAC Name[(4S,6R)-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+/m1/s1
InChIKeyXZSBBNIQFZWUGJ-OLZOCXBDSA-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

5-(Bromomethyl)-3-(3-fluorophenyl)-4,5-dihydroisoxazole
CID 102568556
5-(Bromomethyl)-3-(4-fluorophenyl)-4,5-dihydroisoxazole
CID 102568557
3-(4-Bromo-3-fluorophenyl)-5-({[tert-butyl(dimethyl)silyl]oxy}methyl)-4,5-dihydroisoxazole
CID 17954496
[3-(4-Bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 58653820
trimethyl-[(3-phenyl-5,6-dihydro-4H-oxazin-6-yl)methyl]silane
CID 10999374
5-(4-Bromobutyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13835441
6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine
CID 164675177
(5R)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 99993934
(5S)-5-(bromomethyl)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 99993938
(5R)-5-(bromomethyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 99993942
(5S)-5-(bromomethyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 99993943
(5R)-5-(bromomethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 99993950

Frequently Asked Questions

What is the IUPAC name of [(4S,6R)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane?
The IUPAC name of [(4S,6R)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane (CID 11035315) is [(4S,6R)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane.
What is the SMILES notation for [(4S,6R)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane?
The canonical SMILES for [(4S,6R)-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 [(4S,6R)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane?
The InChIKey is XZSBBNIQFZWUGJ-OLZOCXBDSA-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+/m1/s1.
What are the key properties of [(4S,6R)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane?
[(4S,6R)-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 [(4S,6R)-4-bromo-3-(4-fluorophenyl)-5,6-dihydro-4H-oxazin-6-yl]methyl-trimethylsilane is sourced from PubChem (CID 11035315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).