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

C14H18ClFN2 — CID 114089782

IUPAC6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
SMILESCC1CCC2(CC1)CNc1cc(F)c(Cl)cc1N2
InChIInChI=1S/C14H18ClFN2/c1-9-2-4-14(5-3-9)8-17-12-7-11(16)10(15)6-13(12)18-14/h6-7,9,17-18H,2-5,8H2,1H3
InChIKeyMITDPMGXEAAUGE-UHFFFAOYSA-N
MW268.76 g/mol
LogP4.27
Rot. Bonds

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

6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] (PubChem CID 114089782) has the molecular formula C14H18ClFN2 and a molecular weight of 268.76 g/mol. Its IUPAC name is 6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane].

Molecular Properties

Compound Name6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
PubChem CID114089782
Molecular FormulaC14H18ClFN2
Molecular Weight268.76 g/mol
Exact Mass268.11
IUPAC Name6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
SMILESCC1CCC2(CC1)CNc1cc(F)c(Cl)cc1N2
InChIInChI=1S/C14H18ClFN2/c1-9-2-4-14(5-3-9)8-17-12-7-11(16)10(15)6-13(12)18-14/h6-7,9,17-18H,2-5,8H2,1H3
InChIKeyMITDPMGXEAAUGE-UHFFFAOYSA-N
XLogP4.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] 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-fluoro-8-methoxy-4'-methylspiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclohexane]-4-one
CID 115443221
1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol
CID 143626038
7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 79296117
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2,4-dichloro-5-fluorophenyl)ethanol
CID 79125689
6-chloro-7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720878
6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one
CID 114089772
7-fluoro-8-methylspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]
CID 103594604
1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
CID 105394080
(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine
CID 170904340
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591
3-(4-bromo-2-chlorophenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane
CID 82779509

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]?
The IUPAC name of 6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] (CID 114089782) is 6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane].
What is the SMILES notation for 6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]?
The canonical SMILES for 6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] is CC1CCC2(CC1)CNc1cc(F)c(Cl)cc1N2.
What is the InChIKey of 6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]?
The InChIKey is MITDPMGXEAAUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2/c1-9-2-4-14(5-3-9)8-17-12-7-11(16)10(15)6-13(12)18-14/h6-7,9,17-18H,2-5,8H2,1H3.
What are the key properties of 6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]?
6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] has a molecular weight of 268.76 g/mol, XLogP of 4.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-4'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] is sourced from PubChem (CID 114089782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).