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

C12H12ClFN2O — CID 79296117

IUPAC7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2cc(Cl)c(F)cc2NC12CCCC2
InChIInChI=1S/C12H12ClFN2O/c13-7-5-9-10(6-8(7)14)16-12(11(17)15-9)3-1-2-4-12/h5-6,16H,1-4H2,(H,15,17)
InChIKeyZAHCKARERHZOSC-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.16
Rot. Bonds

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

7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 79296117) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
PubChem CID79296117
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2cc(Cl)c(F)cc2NC12CCCC2
InChIInChI=1S/C12H12ClFN2O/c13-7-5-9-10(6-8(7)14)16-12(11(17)15-9)3-1-2-4-12/h5-6,16H,1-4H2,(H,15,17)
InChIKeyZAHCKARERHZOSC-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-1,4-dihydro-2,3-quinoxalinedione
CID 81143
6-Chloro-5,7-difluoro-1,4-dihydroquinoxaline-2,3-dione
CID 10823505
6-Chloro-7-fluoro-1,4-dihydroquinoxaline-2,3-dione
CID 10656295
6-Chloro-3,3-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 10536460
1-(4-Chloroanilino)cyclopentane-1-carboxamide
CID 242361
3-butan-2-yl-6-chloro-3,4-dihydro-1H-quinoxalin-2-one
CID 45268156
7-Chloro-3,3-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 11195186
6-Chloro-3-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 15337284
7-Chloro-3-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 15337291
Spiro[1,3,4-trihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 12886755
7-Chloro-6-fluoro-3,4-dihydroquinoxalin-2(1H)-one
CID 10465412
5-Chloro-7-fluoro-1,4-dihydro-2,3-quinoxalinedione
CID 15345744

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one (CID 79296117) is 7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one is O=C1Nc2cc(Cl)c(F)cc2NC12CCCC2.
What is the InChIKey of 7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is ZAHCKARERHZOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c13-7-5-9-10(6-8(7)14)16-12(11(17)15-9)3-1-2-4-12/h5-6,16H,1-4H2,(H,15,17).
What are the key properties of 7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 254.69 g/mol, XLogP of 3.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 79296117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).