[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane

C10H9BFNOS — CID 88897094

IUPAC[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane
SMILESBc1ccc(OCc2cncs2)cc1F
InChIInChI=1S/C10H9BFNOS/c11-9-2-1-7(3-10(9)12)14-5-8-4-13-6-15-8/h1-4,6H,5,11H2
InChIKeyVQFPURGHOGUCIM-UHFFFAOYSA-N
MW221.07 g/mol
LogP1.12
Rot. Bonds3

About [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane

[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane (PubChem CID 88897094) has the molecular formula C10H9BFNOS and a molecular weight of 221.07 g/mol. Its IUPAC name is [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane.

Molecular Properties

Compound Name[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane
PubChem CID88897094
Molecular FormulaC10H9BFNOS
Molecular Weight221.07 g/mol
Exact Mass221.05
IUPAC Name[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane
SMILESBc1ccc(OCc2cncs2)cc1F
InChIInChI=1S/C10H9BFNOS/c11-9-2-1-7(3-10(9)12)14-5-8-4-13-6-15-8/h1-4,6H,5,11H2
InChIKeyVQFPURGHOGUCIM-UHFFFAOYSA-N
XLogP1.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 51.12
H-Bond Donors ≤ 50
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 [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane?
The IUPAC name of [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane (CID 88897094) is [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane.
What is the SMILES notation for [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane?
The canonical SMILES for [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane is Bc1ccc(OCc2cncs2)cc1F.
What is the InChIKey of [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane?
The InChIKey is VQFPURGHOGUCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BFNOS/c11-9-2-1-7(3-10(9)12)14-5-8-4-13-6-15-8/h1-4,6H,5,11H2.
What are the key properties of [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane?
[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane has a molecular weight of 221.07 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]borane is sourced from PubChem (CID 88897094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).