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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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).