8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one

C14H17FN2O — CID 115097371

IUPAC8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
SMILESCC(C)N1c2cccc(F)c2NC(=O)C12CCC2
InChIInChI=1S/C14H17FN2O/c1-9(2)17-11-6-3-5-10(15)12(11)16-13(18)14(17)7-4-8-14/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,18)
InChIKeySLZGHIHZTOUSFX-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.92
Rot. Bonds1

About 8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one

8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one (PubChem CID 115097371) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
PubChem CID115097371
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
SMILESCC(C)N1c2cccc(F)c2NC(=O)C12CCC2
InChIInChI=1S/C14H17FN2O/c1-9(2)17-11-6-3-5-10(15)12(11)16-13(18)14(17)7-4-8-14/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,18)
InChIKeySLZGHIHZTOUSFX-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The IUPAC name of 8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one (CID 115097371) is 8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The canonical SMILES for 8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one is CC(C)N1c2cccc(F)c2NC(=O)C12CCC2.
What is the InChIKey of 8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The InChIKey is SLZGHIHZTOUSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-9(2)17-11-6-3-5-10(15)12(11)16-13(18)14(17)7-4-8-14/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one has a molecular weight of 248.30 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 115097371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).