3-fluoro-2-morpholin-3-ylbenzoic acid

C11H12FNO3 — CID 154430314

IUPAC3-fluoro-2-morpholin-3-ylbenzoic acid
SMILESO=C(O)c1cccc(F)c1C1COCCN1
InChIInChI=1S/C11H12FNO3/c12-8-3-1-2-7(11(14)15)10(8)9-6-16-5-4-13-9/h1-3,9,13H,4-6H2,(H,14,15)
InChIKeyGNWFQJCTEUVTQF-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.18
Rot. Bonds2

About 3-fluoro-2-morpholin-3-ylbenzoic acid

3-fluoro-2-morpholin-3-ylbenzoic acid (PubChem CID 154430314) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-fluoro-2-morpholin-3-ylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-2-morpholin-3-ylbenzoic acid
PubChem CID154430314
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-fluoro-2-morpholin-3-ylbenzoic acid
SMILESO=C(O)c1cccc(F)c1C1COCCN1
InChIInChI=1S/C11H12FNO3/c12-8-3-1-2-7(11(14)15)10(8)9-6-16-5-4-13-9/h1-3,9,13H,4-6H2,(H,14,15)
InChIKeyGNWFQJCTEUVTQF-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-2-yl)-3-fluorobenzoic acid
CID 55297953
3-morpholin-3-yl-2-nitrobenzoic acid
CID 174727620
2-methoxy-3-morpholin-3-ylbenzoic acid
CID 175436476
(3R)-3-(2-chloro-3,6-difluorophenyl)morpholine
CID 97291243
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
CID 131522958
5-bromo-2-[(3S)-morpholin-3-yl]benzoic acid
CID 131436603
(3R)-3-(2,3-difluorophenyl)morpholine;hydrochloride
CID 171192608
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
CID 131546881
2-amino-3-morpholin-3-ylbenzamide
CID 18403948
3-(2,6-dimethylphenyl)morpholine
CID 55298000
4-morpholin-3-ylbenzoic acid
CID 83439810

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-morpholin-3-ylbenzoic acid?
The IUPAC name of 3-fluoro-2-morpholin-3-ylbenzoic acid (CID 154430314) is 3-fluoro-2-morpholin-3-ylbenzoic acid.
What is the SMILES notation for 3-fluoro-2-morpholin-3-ylbenzoic acid?
The canonical SMILES for 3-fluoro-2-morpholin-3-ylbenzoic acid is O=C(O)c1cccc(F)c1C1COCCN1.
What is the InChIKey of 3-fluoro-2-morpholin-3-ylbenzoic acid?
The InChIKey is GNWFQJCTEUVTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-8-3-1-2-7(11(14)15)10(8)9-6-16-5-4-13-9/h1-3,9,13H,4-6H2,(H,14,15).
What are the key properties of 3-fluoro-2-morpholin-3-ylbenzoic acid?
3-fluoro-2-morpholin-3-ylbenzoic acid has a molecular weight of 225.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-morpholin-3-ylbenzoic acid is sourced from PubChem (CID 154430314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).