6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]

C14H18BrFN2 — CID 116739887

IUPAC6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
SMILESCC1CCCC2(CNc3cc(F)c(Br)cc3N2)C1
InChIInChI=1S/C14H18BrFN2/c1-9-3-2-4-14(7-9)8-17-12-6-11(16)10(15)5-13(12)18-14/h5-6,9,17-18H,2-4,7-8H2,1H3
InChIKeyPPHUFYLEFBQUPX-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.37
Rot. Bonds

About 6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]

6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] (PubChem CID 116739887) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is 6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane].

Molecular Properties

Compound Name6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
PubChem CID116739887
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC Name6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
SMILESCC1CCCC2(CNc3cc(F)c(Br)cc3N2)C1
InChIInChI=1S/C14H18BrFN2/c1-9-3-2-4-14(7-9)8-17-12-6-11(16)10(15)5-13(12)18-14/h5-6,9,17-18H,2-4,7-8H2,1H3
InChIKeyPPHUFYLEFBQUPX-UHFFFAOYSA-N
XLogP4.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] with MolForge

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Related Compounds

6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]
CID 116739882
6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
CID 114089782
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
7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 103594457
7-bromo-3,3-diethyl-8-fluoro-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115431525
5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;hydrochloride
CID 136576261
7-fluoro-8-methylspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]
CID 103594604
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol
CID 54971162
6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
CID 81082002
1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 106880613
7-bromo-2-butan-2-yl-6-fluoro-1,2,3,4-tetrahydroquinoxaline
CID 116739867

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]?
The IUPAC name of 6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] (CID 116739887) is 6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane].
What is the SMILES notation for 6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]?
The canonical SMILES for 6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] is CC1CCCC2(CNc3cc(F)c(Br)cc3N2)C1.
What is the InChIKey of 6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]?
The InChIKey is PPHUFYLEFBQUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2/c1-9-3-2-4-14(7-9)8-17-12-6-11(16)10(15)5-13(12)18-14/h5-6,9,17-18H,2-4,7-8H2,1H3.
What are the key properties of 6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]?
6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] has a molecular weight of 313.21 g/mol, XLogP of 4.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] is sourced from PubChem (CID 116739887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).