7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid

C10H10FNO3 — CID 84621517

IUPAC7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
SMILESCN1c2ccc(F)cc2OCC1C(=O)O
InChIInChI=1S/C10H10FNO3/c1-12-7-3-2-6(11)4-9(7)15-5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,13,14)
InChIKeyRXMOVDOUQXWLHX-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.11
Rot. Bonds1

About 7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid

7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid (PubChem CID 84621517) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
PubChem CID84621517
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
SMILESCN1c2ccc(F)cc2OCC1C(=O)O
InChIInChI=1S/C10H10FNO3/c1-12-7-3-2-6(11)4-9(7)15-5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,13,14)
InChIKeyRXMOVDOUQXWLHX-UHFFFAOYSA-N
XLogP1.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84641701
2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
CID 84621374
N-benzyl-2-[(3S)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 95055943
N-benzyl-2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 53034102
N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 95055944
8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84621513
7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid
CID 84637578
4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepine-3-carboxylic acid
CID 84623806
8-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84641705
(7-fluoro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)carbamic acid
CID 90345137
(2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 42260924
ethyl 2-[(3S)-4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl]acetate
CID 92750204

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid?
The IUPAC name of 7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid (CID 84621517) is 7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid?
The canonical SMILES for 7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid is CN1c2ccc(F)cc2OCC1C(=O)O.
What is the InChIKey of 7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid?
The InChIKey is RXMOVDOUQXWLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-12-7-3-2-6(11)4-9(7)15-5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,13,14).
What are the key properties of 7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid?
7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid has a molecular weight of 211.19 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid is sourced from PubChem (CID 84621517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).