1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one

C10H11FN2O2 — CID 117272948

IUPAC1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one
SMILESNCCN1C(=O)OCc2cc(F)ccc21
InChIInChI=1S/C10H11FN2O2/c11-8-1-2-9-7(5-8)6-15-10(14)13(9)4-3-12/h1-2,5H,3-4,6,12H2
InChIKeyAKHDDBSCDCKQNG-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.24
Rot. Bonds2

About 1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one

1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one (PubChem CID 117272948) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one
PubChem CID117272948
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one
SMILESNCCN1C(=O)OCc2cc(F)ccc21
InChIInChI=1S/C10H11FN2O2/c11-8-1-2-9-7(5-8)6-15-10(14)13(9)4-3-12/h1-2,5H,3-4,6,12H2
InChIKeyAKHDDBSCDCKQNG-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)acetamide
CID 46894121
2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one
CID 82279729
5-fluoro-1-methyl-3H-2,1-benzoxazole
CID 175342122
6-fluoro-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68532811
3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one
CID 82015368
1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one
CID 76853933
1-[2-(4-aminophenyl)ethyl]-6-fluoro-3,4-dihydroquinolin-2-one
CID 43519642
3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 21069848
4-ethyl-6-fluoro-1,4-benzoxazin-3-one
CID 59525216
2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 21277886
1-[1-(5-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-6-fluoro-4H-3,1-benzoxazin-2-one
CID 68531348
1-benzyl-4H-3,1-benzoxazin-2-one
CID 902529

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one?
The IUPAC name of 1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one (CID 117272948) is 1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one is NCCN1C(=O)OCc2cc(F)ccc21.
What is the InChIKey of 1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one?
The InChIKey is AKHDDBSCDCKQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-8-1-2-9-7(5-8)6-15-10(14)13(9)4-3-12/h1-2,5H,3-4,6,12H2.
What are the key properties of 1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one?
1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one has a molecular weight of 210.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 117272948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).