(3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid

C10H12BFO3 — CID 114674548

IUPAC(3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid
SMILESC=CC(C)Oc1cc(B(O)O)ccc1F
InChIInChI=1S/C10H12BFO3/c1-3-7(2)15-10-6-8(11(13)14)4-5-9(10)12/h3-7,13-14H,1H2,2H3
InChIKeyRSMNYSRNMRTIOU-UHFFFAOYSA-N
MW210.01 g/mol
LogP0.46
Rot. Bonds4

About (3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid

(3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid (PubChem CID 114674548) has the molecular formula C10H12BFO3 and a molecular weight of 210.01 g/mol. Its IUPAC name is (3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid
PubChem CID114674548
Molecular FormulaC10H12BFO3
Molecular Weight210.01 g/mol
Exact Mass210.09
IUPAC Name(3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid
SMILESC=CC(C)Oc1cc(B(O)O)ccc1F
InChIInChI=1S/C10H12BFO3/c1-3-7(2)15-10-6-8(11(13)14)4-5-9(10)12/h3-7,13-14H,1H2,2H3
InChIKeyRSMNYSRNMRTIOU-UHFFFAOYSA-N
XLogP0.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.01
LogP ≤ 50.46
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-pentan-3-yloxyphenyl)boronic acid
CID 114674666
(4-fluoro-3-methoxyphenyl)boronic acid
CID 44558185
(4-fluoro-3-prop-2-enoxyphenyl)boronic acid
CID 114674576
[4-fluoro-3-[1-(2H-triazol-4-yl)ethoxy]phenyl]boronic acid
CID 68875202
[4-fluoro-3-(2-methylidenebutoxy)phenyl]boronic acid
CID 114674680
[4-fluoro-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 114674718
(3-borono-4-fluorophenyl)boronic acid
CID 150550580
(4-hydroxy-3-propan-2-yloxyphenyl)boronic acid
CID 124705136
(3-fluoro-4-methoxyphenyl)boronic acid
CID 2782194
1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine
CID 107693102
(3-cycloheptyloxy-4-fluorophenyl)boronic acid
CID 114674835
(1S)-1-(2-but-3-en-2-yloxy-4-fluorophenyl)ethanamine
CID 78936140

Frequently Asked Questions

What is the IUPAC name of (3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid?
The IUPAC name of (3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid (CID 114674548) is (3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid.
What is the SMILES notation for (3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid?
The canonical SMILES for (3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid is C=CC(C)Oc1cc(B(O)O)ccc1F.
What is the InChIKey of (3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid?
The InChIKey is RSMNYSRNMRTIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BFO3/c1-3-7(2)15-10-6-8(11(13)14)4-5-9(10)12/h3-7,13-14H,1H2,2H3.
What are the key properties of (3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid?
(3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid has a molecular weight of 210.01 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid is sourced from PubChem (CID 114674548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).