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

C14H11BrFNO — CID 116837314

IUPAC6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccccc1C1COc2ccc(Br)cc2N1
InChIInChI=1S/C14H11BrFNO/c15-9-5-6-14-12(7-9)17-13(8-18-14)10-3-1-2-4-11(10)16/h1-7,13,17H,8H2
InChIKeyQXVSUNDDJKENAT-UHFFFAOYSA-N
MW308.15 g/mol
LogP4.13
Rot. Bonds1

About 6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116837314) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is 6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116837314
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccccc1C1COc2ccc(Br)cc2N1
InChIInChI=1S/C14H11BrFNO/c15-9-5-6-14-12(7-9)17-13(8-18-14)10-3-1-2-4-11(10)16/h1-7,13,17H,8H2
InChIKeyQXVSUNDDJKENAT-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
CID 116837628
3-(1,3-benzodioxol-5-yl)-6-bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 116837297
6-bromo-3-(3,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837284
3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837271
6-bromo-3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837282
(3S)-6-bromo-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94977042
6-bromo-3-cyclobutyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116837330
(3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine
CID 145171971
3-(3H-benzimidazol-5-yl)-6-bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 116837310
3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 116837686
2-(6-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetonitrile
CID 84634836
(4R)-4-(2-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 131085137

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 116837314) is 6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Fc1ccccc1C1COc2ccc(Br)cc2N1.
What is the InChIKey of 6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is QXVSUNDDJKENAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c15-9-5-6-14-12(7-9)17-13(8-18-14)10-3-1-2-4-11(10)16/h1-7,13,17H,8H2.
What are the key properties of 6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 308.15 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116837314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).