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

C10H10FNO3 — CID 84621513

IUPAC8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
SMILESCN1c2cccc(F)c2OCC1C(=O)O
InChIInChI=1S/C10H10FNO3/c1-12-7-4-2-3-6(11)9(7)15-5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,13,14)
InChIKeyJODPCGQLAAMLQE-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.11
Rot. Bonds1

About 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid

8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid (PubChem CID 84621513) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
PubChem CID84621513
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
SMILESCN1c2cccc(F)c2OCC1C(=O)O
InChIInChI=1S/C10H10FNO3/c1-12-7-4-2-3-6(11)9(7)15-5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,13,14)
InChIKeyJODPCGQLAAMLQE-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

8-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84641705
8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile
CID 84619055
7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84621517
(3S)-3-amino-9-fluoro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 67076961
6-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84641701
8-fluoro-4-methyl-1,4-benzoxazin-3-one
CID 66697398
1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 115024025
8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 82229656
4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepine-3-carboxylic acid
CID 84623806
2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
CID 84620761
4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid
CID 107013662
6-fluoro-2-methyl-1-oxo-4,5-dihydro-3H-2-benzazepine-3-carboxylic acid
CID 84628777

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid?
The IUPAC name of 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid (CID 84621513) is 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid?
The canonical SMILES for 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid is CN1c2cccc(F)c2OCC1C(=O)O.
What is the InChIKey of 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid?
The InChIKey is JODPCGQLAAMLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-12-7-4-2-3-6(11)9(7)15-5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,13,14).
What are the key properties of 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid?
8-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 8-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid is sourced from PubChem (CID 84621513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).