2,6-difluoro-4-morpholin-2-ylbenzoic acid

C11H11F2NO3 — CID 117359158

IUPAC2,6-difluoro-4-morpholin-2-ylbenzoic acid
SMILESO=C(O)c1c(F)cc(C2CNCCO2)cc1F
InChIInChI=1S/C11H11F2NO3/c12-7-3-6(9-5-14-1-2-17-9)4-8(13)10(7)11(15)16/h3-4,9,14H,1-2,5H2,(H,15,16)
InChIKeyCCEGWXKUPJMGJS-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.32
Rot. Bonds2

About 2,6-difluoro-4-morpholin-2-ylbenzoic acid

2,6-difluoro-4-morpholin-2-ylbenzoic acid (PubChem CID 117359158) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2,6-difluoro-4-morpholin-2-ylbenzoic acid.

Molecular Properties

Compound Name2,6-difluoro-4-morpholin-2-ylbenzoic acid
PubChem CID117359158
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name2,6-difluoro-4-morpholin-2-ylbenzoic acid
SMILESO=C(O)c1c(F)cc(C2CNCCO2)cc1F
InChIInChI=1S/C11H11F2NO3/c12-7-3-6(9-5-14-1-2-17-9)4-8(13)10(7)11(15)16/h3-4,9,14H,1-2,5H2,(H,15,16)
InChIKeyCCEGWXKUPJMGJS-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate
CID 117390616
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
3-fluoro-2-methoxy-5-morpholin-2-ylphenol
CID 117326493
2-(3,4-difluoro-5-nitrophenyl)morpholine
CID 117361894
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine
CID 117323473
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
5-chloro-2-morpholin-2-ylbenzoic acid
CID 174949495
5-morpholin-2-ylpyrazine-2-carboxylic acid
CID 67151543
azane;2-phenylmorpholine
CID 174664757

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-morpholin-2-ylbenzoic acid?
The IUPAC name of 2,6-difluoro-4-morpholin-2-ylbenzoic acid (CID 117359158) is 2,6-difluoro-4-morpholin-2-ylbenzoic acid.
What is the SMILES notation for 2,6-difluoro-4-morpholin-2-ylbenzoic acid?
The canonical SMILES for 2,6-difluoro-4-morpholin-2-ylbenzoic acid is O=C(O)c1c(F)cc(C2CNCCO2)cc1F.
What is the InChIKey of 2,6-difluoro-4-morpholin-2-ylbenzoic acid?
The InChIKey is CCEGWXKUPJMGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c12-7-3-6(9-5-14-1-2-17-9)4-8(13)10(7)11(15)16/h3-4,9,14H,1-2,5H2,(H,15,16).
What are the key properties of 2,6-difluoro-4-morpholin-2-ylbenzoic acid?
2,6-difluoro-4-morpholin-2-ylbenzoic acid has a molecular weight of 243.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-morpholin-2-ylbenzoic acid is sourced from PubChem (CID 117359158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).