4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid

C12H12FNO5 — CID 107013662

IUPAC4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1c(O)cccc1F
InChIInChI=1S/C12H12FNO5/c13-7-2-1-3-9(15)10(7)11(16)14-4-5-19-6-8(14)12(17)18/h1-3,8,15H,4-6H2,(H,17,18)
InChIKeyYKFLFRNWGBFGJO-UHFFFAOYSA-N
MW269.23 g/mol
LogP0.46
Rot. Bonds2

About 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid

4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid (PubChem CID 107013662) has the molecular formula C12H12FNO5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid
PubChem CID107013662
Molecular FormulaC12H12FNO5
Molecular Weight269.23 g/mol
Exact Mass269.07
IUPAC Name4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1c(O)cccc1F
InChIInChI=1S/C12H12FNO5/c13-7-2-1-3-9(15)10(7)11(16)14-4-5-19-6-8(14)12(17)18/h1-3,8,15H,4-6H2,(H,17,18)
InChIKeyYKFLFRNWGBFGJO-UHFFFAOYSA-N
XLogP0.46
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
CID 104919956
[3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107017010
4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 119216837
4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 114559720
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
4-[3-(2-fluorophenyl)but-2-enoyl]morpholine-3-carboxylic acid
CID 126790389
4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid
CID 107601863
(3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125119525
(3R)-4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 124513575
(3S)-4-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125133538
(3S)-4-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125133540
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid (CID 107013662) is 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1c(O)cccc1F.
What is the InChIKey of 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid?
The InChIKey is YKFLFRNWGBFGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO5/c13-7-2-1-3-9(15)10(7)11(16)14-4-5-19-6-8(14)12(17)18/h1-3,8,15H,4-6H2,(H,17,18).
What are the key properties of 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid?
4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid has a molecular weight of 269.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 107013662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).