8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

C14H10Br2FNO — CID 82970269

IUPAC8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc(Br)cc1C1CNc2cccc(Br)c2O1
InChIInChI=1S/C14H10Br2FNO/c15-8-4-5-11(17)9(6-8)13-7-18-12-3-1-2-10(16)14(12)19-13/h1-6,13,18H,7H2
InChIKeyLDZQLGKGUGALOM-UHFFFAOYSA-N
MW387.05 g/mol
LogP4.90
Rot. Bonds1

About 8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82970269) has the molecular formula C14H10Br2FNO and a molecular weight of 387.05 g/mol. Its IUPAC name is 8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82970269
Molecular FormulaC14H10Br2FNO
Molecular Weight387.05 g/mol
Exact Mass384.91
IUPAC Name8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc(Br)cc1C1CNc2cccc(Br)c2O1
InChIInChI=1S/C14H10Br2FNO/c15-8-4-5-11(17)9(6-8)13-7-18-12-3-1-2-10(16)14(12)19-13/h1-6,13,18H,7H2
InChIKeyLDZQLGKGUGALOM-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine
CID 82971203
2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 82970339
2-(5-bromo-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82971062
8-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81495008
2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 81495338
8-bromo-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81496466
2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 70100065
8-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017783
8-bromo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
CID 83825671
2-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1,4-oxazepane
CID 113484913
2-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 81495370
2-(5-bromo-2-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711974

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 82970269) is 8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Fc1ccc(Br)cc1C1CNc2cccc(Br)c2O1.
What is the InChIKey of 8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is LDZQLGKGUGALOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO/c15-8-4-5-11(17)9(6-8)13-7-18-12-3-1-2-10(16)14(12)19-13/h1-6,13,18H,7H2.
What are the key properties of 8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 387.05 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82970269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).