6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine

C8H6BrF2NO — CID 155973272

IUPAC6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine
SMILESFC1(F)CNc2cc(Br)ccc2O1
InChIInChI=1S/C8H6BrF2NO/c9-5-1-2-7-6(3-5)12-4-8(10,11)13-7/h1-3,12H,4H2
InChIKeyCWUHKORGPWFGGB-UHFFFAOYSA-N
MW250.04 g/mol
LogP2.85
Rot. Bonds

About 6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine

6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine (PubChem CID 155973272) has the molecular formula C8H6BrF2NO and a molecular weight of 250.04 g/mol. Its IUPAC name is 6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine
PubChem CID155973272
Molecular FormulaC8H6BrF2NO
Molecular Weight250.04 g/mol
Exact Mass248.96
IUPAC Name6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine
SMILESFC1(F)CNc2cc(Br)ccc2O1
InChIInChI=1S/C8H6BrF2NO/c9-5-1-2-7-6(3-5)12-4-8(10,11)13-7/h1-3,12H,4H2
InChIKeyCWUHKORGPWFGGB-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine?
The IUPAC name of 6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine (CID 155973272) is 6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine.
What is the SMILES notation for 6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine?
The canonical SMILES for 6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine is FC1(F)CNc2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine?
The InChIKey is CWUHKORGPWFGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO/c9-5-1-2-7-6(3-5)12-4-8(10,11)13-7/h1-3,12H,4H2.
What are the key properties of 6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine?
6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine has a molecular weight of 250.04 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine is sourced from PubChem (CID 155973272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).