5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine

C7H7FN2O — CID 164602655

IUPAC5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine
SMILESNC1Nc2cc(F)ccc2O1
InChIInChI=1S/C7H7FN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,7,10H,9H2
InChIKeyZKBQMCFKASTBIH-UHFFFAOYSA-N
MW154.14 g/mol
LogP0.87
Rot. Bonds

About 5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine

5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine (PubChem CID 164602655) has the molecular formula C7H7FN2O and a molecular weight of 154.14 g/mol. Its IUPAC name is 5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine
PubChem CID164602655
Molecular FormulaC7H7FN2O
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine
SMILESNC1Nc2cc(F)ccc2O1
InChIInChI=1S/C7H7FN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,7,10H,9H2
InChIKeyZKBQMCFKASTBIH-UHFFFAOYSA-N
XLogP0.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
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CID 142117161
2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 115825695
2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
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1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine
CID 84621363
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
2-amino-2,3-dihydro-1,3-benzoxazol-6-ol
CID 135257276
(3R)-3-amino-7-fluoro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 21091513
7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82600925
(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 95240605
7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 54594245
6-fluoro-2-[4-(trifluoromethyl)phenyl]-4H-1,4-benzoxazin-3-one
CID 118982343

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine?
The IUPAC name of 5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine (CID 164602655) is 5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine is NC1Nc2cc(F)ccc2O1.
What is the InChIKey of 5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine?
The InChIKey is ZKBQMCFKASTBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,7,10H,9H2.
What are the key properties of 5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine?
5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine has a molecular weight of 154.14 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 164602655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).