8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one

C10H9FN2O2 — CID 22752442

IUPAC8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one
SMILESO=C1NCC2COc3ccc(F)cc3N12
InChIInChI=1S/C10H9FN2O2/c11-6-1-2-9-8(3-6)13-7(5-15-9)4-12-10(13)14/h1-3,7H,4-5H2,(H,12,14)
InChIKeyBUNANYVCCCTGTF-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.12
Rot. Bonds

About 8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one

8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one (PubChem CID 22752442) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one.

Molecular Properties

Compound Name8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one
PubChem CID22752442
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one
SMILESO=C1NCC2COc3ccc(F)cc3N12
InChIInChI=1S/C10H9FN2O2/c11-6-1-2-9-8(3-6)13-7(5-15-9)4-12-10(13)14/h1-3,7H,4-5H2,(H,12,14)
InChIKeyBUNANYVCCCTGTF-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one?
The IUPAC name of 8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one (CID 22752442) is 8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one.
What is the SMILES notation for 8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one?
The canonical SMILES for 8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one is O=C1NCC2COc3ccc(F)cc3N12.
What is the InChIKey of 8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one?
The InChIKey is BUNANYVCCCTGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-6-1-2-9-8(3-6)13-7(5-15-9)4-12-10(13)14/h1-3,7H,4-5H2,(H,12,14).
What are the key properties of 8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one?
8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one has a molecular weight of 208.19 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazin-1-one is sourced from PubChem (CID 22752442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).