(4-fluoro-3-prop-2-enoxyphenyl)boronic acid

C9H10BFO3 — CID 114674576

IUPAC(4-fluoro-3-prop-2-enoxyphenyl)boronic acid
SMILESC=CCOc1cc(B(O)O)ccc1F
InChIInChI=1S/C9H10BFO3/c1-2-5-14-9-6-7(10(12)13)3-4-8(9)11/h2-4,6,12-13H,1,5H2
InChIKeySLZXJUFEPZTTTK-UHFFFAOYSA-N
MW195.99 g/mol
LogP0.07
Rot. Bonds4

About (4-fluoro-3-prop-2-enoxyphenyl)boronic acid

(4-fluoro-3-prop-2-enoxyphenyl)boronic acid (PubChem CID 114674576) has the molecular formula C9H10BFO3 and a molecular weight of 195.99 g/mol. Its IUPAC name is (4-fluoro-3-prop-2-enoxyphenyl)boronic acid.

Molecular Properties

Compound Name(4-fluoro-3-prop-2-enoxyphenyl)boronic acid
PubChem CID114674576
Molecular FormulaC9H10BFO3
Molecular Weight195.99 g/mol
Exact Mass196.07
IUPAC Name(4-fluoro-3-prop-2-enoxyphenyl)boronic acid
SMILESC=CCOc1cc(B(O)O)ccc1F
InChIInChI=1S/C9H10BFO3/c1-2-5-14-9-6-7(10(12)13)3-4-8(9)11/h2-4,6,12-13H,1,5H2
InChIKeySLZXJUFEPZTTTK-UHFFFAOYSA-N
XLogP0.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.99
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-prop-2-enoxyphenol
CID 11159544
(3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid
CID 114674548
[4-fluoro-3-(2-methylidenebutoxy)phenyl]boronic acid
CID 114674680
(4-fluoro-3-methoxyphenyl)boronic acid
CID 44558185
1,2,4-trifluoro-5-prop-2-enoxybenzene
CID 130724512
[3-[(3,4-dimethylphenyl)methoxy]-4-fluorophenyl]boronic acid
CID 114674618
methyl 4-fluoro-3-prop-2-enoxybenzoate
CID 67441936
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid
CID 102616651
(4-fluoro-3-pentan-3-yloxyphenyl)boronic acid
CID 114674666
N-[(4-fluoro-3-prop-2-enoxyphenyl)methyl]thiohydroxylamine
CID 142399866
[4-fluoro-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 114674718
[4-fluoro-3-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 114674723

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-prop-2-enoxyphenyl)boronic acid?
The IUPAC name of (4-fluoro-3-prop-2-enoxyphenyl)boronic acid (CID 114674576) is (4-fluoro-3-prop-2-enoxyphenyl)boronic acid.
What is the SMILES notation for (4-fluoro-3-prop-2-enoxyphenyl)boronic acid?
The canonical SMILES for (4-fluoro-3-prop-2-enoxyphenyl)boronic acid is C=CCOc1cc(B(O)O)ccc1F.
What is the InChIKey of (4-fluoro-3-prop-2-enoxyphenyl)boronic acid?
The InChIKey is SLZXJUFEPZTTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BFO3/c1-2-5-14-9-6-7(10(12)13)3-4-8(9)11/h2-4,6,12-13H,1,5H2.
What are the key properties of (4-fluoro-3-prop-2-enoxyphenyl)boronic acid?
(4-fluoro-3-prop-2-enoxyphenyl)boronic acid has a molecular weight of 195.99 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-prop-2-enoxyphenyl)boronic acid is sourced from PubChem (CID 114674576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).