6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one

C12H12ClFN2O2 — CID 114089772

IUPAC6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one
SMILESO=C1Nc2cc(F)c(Cl)cc2NC12CCOCC2
InChIInChI=1S/C12H12ClFN2O2/c13-7-5-10-9(6-8(7)14)15-11(17)12(16-10)1-3-18-4-2-12/h5-6,16H,1-4H2,(H,15,17)
InChIKeyNYUPMGSNOOMSLS-UHFFFAOYSA-N
MW270.69 g/mol
LogP2.39
Rot. Bonds

About 6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one

6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one (PubChem CID 114089772) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one.

Molecular Properties

Compound Name6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one
PubChem CID114089772
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one
SMILESO=C1Nc2cc(F)c(Cl)cc2NC12CCOCC2
InChIInChI=1S/C12H12ClFN2O2/c13-7-5-10-9(6-8(7)14)15-11(17)12(16-10)1-3-18-4-2-12/h5-6,16H,1-4H2,(H,15,17)
InChIKeyNYUPMGSNOOMSLS-UHFFFAOYSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 79296117
(3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one
CID 98041414
7-fluorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one
CID 79295412
7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79295398
7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one
CID 115293397
5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one
CID 103996520
6-chloro-5-fluoro-3,3-dimethyl-1H-indol-2-one
CID 163423174
2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde
CID 82375658
8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82230687
5-chlorospiro[1H-indole-3,4'-oxane]-2-one
CID 106701967
6-chloro-7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 171526909
7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 103594457

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one?
The IUPAC name of 6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one (CID 114089772) is 6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one.
What is the SMILES notation for 6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one?
The canonical SMILES for 6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one is O=C1Nc2cc(F)c(Cl)cc2NC12CCOCC2.
What is the InChIKey of 6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one?
The InChIKey is NYUPMGSNOOMSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c13-7-5-10-9(6-8(7)14)15-11(17)12(16-10)1-3-18-4-2-12/h5-6,16H,1-4H2,(H,15,17).
What are the key properties of 6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one?
6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one has a molecular weight of 270.69 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one is sourced from PubChem (CID 114089772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).