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

C10H10FNO3 — CID 10632286

IUPAC6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
SMILESCN1CCOc2c(C(=O)O)cc(F)cc21
InChIInChI=1S/C10H10FNO3/c1-12-2-3-15-9-7(10(13)14)4-6(11)5-8(9)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyUNCHSYGLIRCJGJ-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.35
Rot. Bonds1

About 6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid

6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid (PubChem CID 10632286) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
PubChem CID10632286
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
SMILESCN1CCOc2c(C(=O)O)cc(F)cc21
InChIInChI=1S/C10H10FNO3/c1-12-2-3-15-9-7(10(13)14)4-6(11)5-8(9)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyUNCHSYGLIRCJGJ-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

Metabutoxycaine
CID 19247
N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid
CID 4310
1-piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt)
CID 3042924
4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid
CID 10655404
3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid
CID 18354941
Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate
CID 23770643
2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid
CID 50987804
3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
CID 53403838
3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid
CID 53403841
4-(carboxymethyl)-7-hydroxy-2-oxo-3H-1,4-benzoxazine-6-carboxylic acid
CID 101884103
4-Ethyl-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid
CID 127047087
Methyl 3,4-dihydro-2H-benzo[B][1,4]oxazine-8-carboxylate
CID 16244454

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid?
The IUPAC name of 6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid (CID 10632286) is 6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid?
The canonical SMILES for 6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid is CN1CCOc2c(C(=O)O)cc(F)cc21.
What is the InChIKey of 6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid?
The InChIKey is UNCHSYGLIRCJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-12-2-3-15-9-7(10(13)14)4-6(11)5-8(9)12/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid?
6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid has a molecular weight of 211.19 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid is sourced from PubChem (CID 10632286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).