6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one

C11H10FIN2O — CID 79295426

IUPAC6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one
SMILESC=CCN1CC(=O)Nc2cc(I)c(F)cc21
InChIInChI=1S/C11H10FIN2O/c1-2-3-15-6-11(16)14-9-5-8(13)7(12)4-10(9)15/h2,4-5H,1,3,6H2,(H,14,16)
InChIKeyTVPXCPPYKSDKAM-UHFFFAOYSA-N
MW332.12 g/mol
LogP2.37
Rot. Bonds2

About 6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one

6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one (PubChem CID 79295426) has the molecular formula C11H10FIN2O and a molecular weight of 332.12 g/mol. Its IUPAC name is 6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one
PubChem CID79295426
Molecular FormulaC11H10FIN2O
Molecular Weight332.12 g/mol
Exact Mass331.98
IUPAC Name6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one
SMILESC=CCN1CC(=O)Nc2cc(I)c(F)cc21
InChIInChI=1S/C11H10FIN2O/c1-2-3-15-6-11(16)14-9-5-8(13)7(12)4-10(9)15/h2,4-5H,1,3,6H2,(H,14,16)
InChIKeyTVPXCPPYKSDKAM-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one (CID 79295426) is 6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one is C=CCN1CC(=O)Nc2cc(I)c(F)cc21.
What is the InChIKey of 6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is TVPXCPPYKSDKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2O/c1-2-3-15-6-11(16)14-9-5-8(13)7(12)4-10(9)15/h2,4-5H,1,3,6H2,(H,14,16).
What are the key properties of 6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one?
6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 332.12 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-iodo-4-prop-2-enyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79295426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).