6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]

C12H14BrFN2 — CID 116739882

IUPAC6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]
SMILESFc1cc2c(cc1Br)NC1(CCCC1)CN2
InChIInChI=1S/C12H14BrFN2/c13-8-5-11-10(6-9(8)14)15-7-12(16-11)3-1-2-4-12/h5-6,15-16H,1-4,7H2
InChIKeyKUZQYCATDZCZMO-UHFFFAOYSA-N
MW285.16 g/mol
LogP3.74
Rot. Bonds

About 6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]

6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane] (PubChem CID 116739882) has the molecular formula C12H14BrFN2 and a molecular weight of 285.16 g/mol. Its IUPAC name is 6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane].

Molecular Properties

Compound Name6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]
PubChem CID116739882
Molecular FormulaC12H14BrFN2
Molecular Weight285.16 g/mol
Exact Mass284.03
IUPAC Name6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]
SMILESFc1cc2c(cc1Br)NC1(CCCC1)CN2
InChIInChI=1S/C12H14BrFN2/c13-8-5-11-10(6-9(8)14)15-7-12(16-11)3-1-2-4-12/h5-6,15-16H,1-4,7H2
InChIKeyKUZQYCATDZCZMO-UHFFFAOYSA-N
XLogP3.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane] with MolForge

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Related Compounds

6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
CID 116739887
7-bromo-8-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 116739886
7-bromo-8-fluoro-3,3-dimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115429310
6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
CID 114089782
7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
CID 115502365
7-bromo-3,3-diethyl-8-fluoro-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115431525
7-fluoro-8-methylspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]
CID 103594604
6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]
CID 81166977
5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride
CID 136576261
7-bromo-8-fluoro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 79290408
6,8-difluorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopentane]
CID 113325806
6-bromospiro[2,4-dihydro-1H-quinoxaline-3,4'-oxane]
CID 115293412

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]?
The IUPAC name of 6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane] (CID 116739882) is 6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane].
What is the SMILES notation for 6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]?
The canonical SMILES for 6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane] is Fc1cc2c(cc1Br)NC1(CCCC1)CN2.
What is the InChIKey of 6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]?
The InChIKey is KUZQYCATDZCZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2/c13-8-5-11-10(6-9(8)14)15-7-12(16-11)3-1-2-4-12/h5-6,15-16H,1-4,7H2.
What are the key properties of 6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]?
6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane] has a molecular weight of 285.16 g/mol, XLogP of 3.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane] is sourced from PubChem (CID 116739882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).