2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid

C10H10FNO3 — CID 70048286

IUPAC2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid
SMILESO=C(O)CC1COc2ccc(F)cc2N1
InChIInChI=1S/C10H10FNO3/c11-6-1-2-9-8(3-6)12-7(5-15-9)4-10(13)14/h1-3,7,12H,4-5H2,(H,13,14)
InChIKeyVTPWJOFQKOAPFJ-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.47
Rot. Bonds2

About 2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid

2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid (PubChem CID 70048286) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid
PubChem CID70048286
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid
SMILESO=C(O)CC1COc2ccc(F)cc2N1
InChIInChI=1S/C10H10FNO3/c11-6-1-2-9-8(3-6)12-7(5-15-9)4-10(13)14/h1-3,7,12H,4-5H2,(H,13,14)
InChIKeyVTPWJOFQKOAPFJ-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid?
The IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid (CID 70048286) is 2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid?
The canonical SMILES for 2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid is O=C(O)CC1COc2ccc(F)cc2N1.
What is the InChIKey of 2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid?
The InChIKey is VTPWJOFQKOAPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-6-1-2-9-8(3-6)12-7(5-15-9)4-10(13)14/h1-3,7,12H,4-5H2,(H,13,14).
What are the key properties of 2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid?
2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid has a molecular weight of 211.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetic acid is sourced from PubChem (CID 70048286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).