(5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane

C11H17BFNO2 — CID 140907531

IUPAC(5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane
SMILESCC(C)OB(OC(C)C)c1ccc(F)cn1
InChIInChI=1S/C11H17BFNO2/c1-8(2)15-12(16-9(3)4)11-6-5-10(13)7-14-11/h5-9H,1-4H3
InChIKeyUIXVMZXEMNQDCF-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.77
Rot. Bonds5

About (5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane

(5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane (PubChem CID 140907531) has the molecular formula C11H17BFNO2 and a molecular weight of 225.07 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane
PubChem CID140907531
Molecular FormulaC11H17BFNO2
Molecular Weight225.07 g/mol
Exact Mass225.13
IUPAC Name(5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane
SMILESCC(C)OB(OC(C)C)c1ccc(F)cn1
InChIInChI=1S/C11H17BFNO2/c1-8(2)15-12(16-9(3)4)11-6-5-10(13)7-14-11/h5-9H,1-4H3
InChIKeyUIXVMZXEMNQDCF-UHFFFAOYSA-N
XLogP1.77
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.77
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 (5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane?
The IUPAC name of (5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane (CID 140907531) is (5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane?
The canonical SMILES for (5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane is CC(C)OB(OC(C)C)c1ccc(F)cn1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane?
The InChIKey is UIXVMZXEMNQDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BFNO2/c1-8(2)15-12(16-9(3)4)11-6-5-10(13)7-14-11/h5-9H,1-4H3.
What are the key properties of (5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane?
(5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane has a molecular weight of 225.07 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-di(propan-2-yloxy)borane is sourced from PubChem (CID 140907531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).