(3-fluoro-4-morpholin-2-ylphenyl)boronic acid

C10H13BFNO3 — CID 175210838

IUPAC(3-fluoro-4-morpholin-2-ylphenyl)boronic acid
SMILESOB(O)c1ccc(C2CNCCO2)c(F)c1
InChIInChI=1S/C10H13BFNO3/c12-9-5-7(11(14)15)1-2-8(9)10-6-13-3-4-16-10/h1-2,5,10,13-15H,3-4,6H2
InChIKeyCZAPQQGMYSZRCH-UHFFFAOYSA-N
MW225.03 g/mol
LogP-0.83
Rot. Bonds2

About (3-fluoro-4-morpholin-2-ylphenyl)boronic acid

(3-fluoro-4-morpholin-2-ylphenyl)boronic acid (PubChem CID 175210838) has the molecular formula C10H13BFNO3 and a molecular weight of 225.03 g/mol. Its IUPAC name is (3-fluoro-4-morpholin-2-ylphenyl)boronic acid.

Molecular Properties

Compound Name(3-fluoro-4-morpholin-2-ylphenyl)boronic acid
PubChem CID175210838
Molecular FormulaC10H13BFNO3
Molecular Weight225.03 g/mol
Exact Mass225.10
IUPAC Name(3-fluoro-4-morpholin-2-ylphenyl)boronic acid
SMILESOB(O)c1ccc(C2CNCCO2)c(F)c1
InChIInChI=1S/C10H13BFNO3/c12-9-5-7(11(14)15)1-2-8(9)10-6-13-3-4-16-10/h1-2,5,10,13-15H,3-4,6H2
InChIKeyCZAPQQGMYSZRCH-UHFFFAOYSA-N
XLogP-0.83
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.03
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
2,5-difluoro-4-morpholin-2-ylphenol
CID 117306323
2,3-difluoro-6-morpholin-2-ylphenol
CID 84783760
3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde
CID 175213091
2-(2-bromo-4-fluorophenyl)morpholine
CID 83734450
(4-fluoro-3-morpholin-2-ylphenyl)methanol
CID 117301215
1-amino-3-(3-fluoro-4-morpholin-2-ylanilino)propan-2-ol
CID 175412994
2-chloro-3-fluoro-4-morpholin-2-ylphenol
CID 117335357
4-chloro-2-fluoro-6-morpholin-2-ylphenol
CID 117335358
2-fluoro-4-methyl-5-morpholin-2-ylphenol
CID 84781573
2-(2-fluoro-5-methylsulfanylphenyl)morpholine
CID 115111871

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-morpholin-2-ylphenyl)boronic acid?
The IUPAC name of (3-fluoro-4-morpholin-2-ylphenyl)boronic acid (CID 175210838) is (3-fluoro-4-morpholin-2-ylphenyl)boronic acid.
What is the SMILES notation for (3-fluoro-4-morpholin-2-ylphenyl)boronic acid?
The canonical SMILES for (3-fluoro-4-morpholin-2-ylphenyl)boronic acid is OB(O)c1ccc(C2CNCCO2)c(F)c1.
What is the InChIKey of (3-fluoro-4-morpholin-2-ylphenyl)boronic acid?
The InChIKey is CZAPQQGMYSZRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BFNO3/c12-9-5-7(11(14)15)1-2-8(9)10-6-13-3-4-16-10/h1-2,5,10,13-15H,3-4,6H2.
What are the key properties of (3-fluoro-4-morpholin-2-ylphenyl)boronic acid?
(3-fluoro-4-morpholin-2-ylphenyl)boronic acid has a molecular weight of 225.03 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-morpholin-2-ylphenyl)boronic acid is sourced from PubChem (CID 175210838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).