[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid

C14H21BFNO4 — CID 64535556

IUPAC[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
SMILESCC(C)N1CCOC(COc2ccc(F)cc2B(O)O)C1
InChIInChI=1S/C14H21BFNO4/c1-10(2)17-5-6-20-12(8-17)9-21-14-4-3-11(16)7-13(14)15(18)19/h3-4,7,10,12,18-19H,5-6,8-9H2,1-2H3
InChIKeyHZQKPFNAHAQJOX-UHFFFAOYSA-N
MW297.13 g/mol
LogP-0.01
Rot. Bonds5

About [5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid

[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid (PubChem CID 64535556) has the molecular formula C14H21BFNO4 and a molecular weight of 297.13 g/mol. Its IUPAC name is [5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
PubChem CID64535556
Molecular FormulaC14H21BFNO4
Molecular Weight297.13 g/mol
Exact Mass297.15
IUPAC Name[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
SMILESCC(C)N1CCOC(COc2ccc(F)cc2B(O)O)C1
InChIInChI=1S/C14H21BFNO4/c1-10(2)17-5-6-20-12(8-17)9-21-14-4-3-11(16)7-13(14)15(18)19/h3-4,7,10,12,18-19H,5-6,8-9H2,1-2H3
InChIKeyHZQKPFNAHAQJOX-UHFFFAOYSA-N
XLogP-0.01
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107014520
[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535557
2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107700549
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487
N-[1-[2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 77043440
2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 107171230
(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 78996510
4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533676
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 107700818

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid?
The IUPAC name of [5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid (CID 64535556) is [5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid.
What is the SMILES notation for [5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid?
The canonical SMILES for [5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid is CC(C)N1CCOC(COc2ccc(F)cc2B(O)O)C1.
What is the InChIKey of [5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid?
The InChIKey is HZQKPFNAHAQJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BFNO4/c1-10(2)17-5-6-20-12(8-17)9-21-14-4-3-11(16)7-13(14)15(18)19/h3-4,7,10,12,18-19H,5-6,8-9H2,1-2H3.
What are the key properties of [5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid?
[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid has a molecular weight of 297.13 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid is sourced from PubChem (CID 64535556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).