[3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid

C10H12BFO3 — CID 81332154

IUPAC[3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid
SMILESOB(O)c1cc(F)cc(OCC2CC2)c1
InChIInChI=1S/C10H12BFO3/c12-9-3-8(11(13)14)4-10(5-9)15-6-7-1-2-7/h3-5,7,13-14H,1-2,6H2
InChIKeyVTSABXJEVCXDMF-UHFFFAOYSA-N
MW210.01 g/mol
LogP0.29
Rot. Bonds4

About [3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid

[3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid (PubChem CID 81332154) has the molecular formula C10H12BFO3 and a molecular weight of 210.01 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid
PubChem CID81332154
Molecular FormulaC10H12BFO3
Molecular Weight210.01 g/mol
Exact Mass210.09
IUPAC Name[3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid
SMILESOB(O)c1cc(F)cc(OCC2CC2)c1
InChIInChI=1S/C10H12BFO3/c12-9-3-8(11(13)14)4-10(5-9)15-6-7-1-2-7/h3-5,7,13-14H,1-2,6H2
InChIKeyVTSABXJEVCXDMF-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid?
The IUPAC name of [3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid (CID 81332154) is [3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid.
What is the SMILES notation for [3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid?
The canonical SMILES for [3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid is OB(O)c1cc(F)cc(OCC2CC2)c1.
What is the InChIKey of [3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid?
The InChIKey is VTSABXJEVCXDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BFO3/c12-9-3-8(11(13)14)4-10(5-9)15-6-7-1-2-7/h3-5,7,13-14H,1-2,6H2.
What are the key properties of [3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid?
[3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid has a molecular weight of 210.01 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid is sourced from PubChem (CID 81332154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).