(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

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Related Compounds

(2S)-6-fluoro-2-(morpholin-4-ylmethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 154991690
benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
CID 160782561
N-[1-[[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]acetamide
CID 121418598
4-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazine-1-carboximidamide
CID 70541096
2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone
CID 7332710
2-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]ethylcarbamic acid
CID 123756541
4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine;oxalic acid
CID 11189142
(2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide
CID 5470104
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779

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).