(2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

C14H16FNO5 — CID 154991759

IUPAC(2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
SMILESO=C(O)c1cc2c(cc1F)OC[C@@H](CN1CCOCC1)O2
InChIInChI=1S/C14H16FNO5/c15-11-6-12-13(5-10(11)14(17)18)21-9(8-20-12)7-16-1-3-19-4-2-16/h5-6,9H,1-4,7-8H2,(H,17,18)/t9-/m1/s1
InChIKeyPWMRJQFBSSNEEU-SECBINFHSA-N
MW297.28 g/mol
LogP1.00
Rot. Bonds3

About (2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

(2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid (PubChem CID 154991759) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is (2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid.

Molecular Properties

Compound Name(2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
PubChem CID154991759
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name(2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
SMILESO=C(O)c1cc2c(cc1F)OC[C@@H](CN1CCOCC1)O2
InChIInChI=1S/C14H16FNO5/c15-11-6-12-13(5-10(11)14(17)18)21-9(8-20-12)7-16-1-3-19-4-2-16/h5-6,9H,1-4,7-8H2,(H,17,18)/t9-/m1/s1
InChIKeyPWMRJQFBSSNEEU-SECBINFHSA-N
XLogP1.00
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
The IUPAC name of (2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid (CID 154991759) is (2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid.
What is the SMILES notation for (2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
The canonical SMILES for (2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid is O=C(O)c1cc2c(cc1F)OC[C@@H](CN1CCOCC1)O2.
What is the InChIKey of (2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
The InChIKey is PWMRJQFBSSNEEU-SECBINFHSA-N. The full InChI is InChI=1S/C14H16FNO5/c15-11-6-12-13(5-10(11)14(17)18)21-9(8-20-12)7-16-1-3-19-4-2-16/h5-6,9H,1-4,7-8H2,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid?
(2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-fluoro-2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid is sourced from PubChem (CID 154991759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).