difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide

C14H9BF5NO2 — CID 72771040

IUPACdifluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide
SMILESF[B-](F)(O[n+]1cccc2oc(-c3ccccc3)cc21)C(F)(F)F
InChIInChI=1S/C14H9BF5NO2/c16-14(17,18)15(19,20)23-21-8-4-7-12-11(21)9-13(22-12)10-5-2-1-3-6-10/h1-9H
InChIKeyRDKODUJTOKSMRR-UHFFFAOYSA-N
MW329.03 g/mol
LogP3.80
Rot. Bonds3

About difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide

difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide (PubChem CID 72771040) has the molecular formula C14H9BF5NO2 and a molecular weight of 329.03 g/mol. Its IUPAC name is difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide.

Molecular Properties

Compound Namedifluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide
PubChem CID72771040
Molecular FormulaC14H9BF5NO2
Molecular Weight329.03 g/mol
Exact Mass329.06
IUPAC Namedifluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide
SMILESF[B-](F)(O[n+]1cccc2oc(-c3ccccc3)cc21)C(F)(F)F
InChIInChI=1S/C14H9BF5NO2/c16-14(17,18)15(19,20)23-21-8-4-7-12-11(21)9-13(22-12)10-5-2-1-3-6-10/h1-9H
InChIKeyRDKODUJTOKSMRR-UHFFFAOYSA-N
XLogP3.80
TPSA26.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.03
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129
3-(4-Methoxyphenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,3-b]pyridine
CID 1486353
3-(4-Methoxyphenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3751880
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine
CID 24818798
2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]furo[3,2-b]pyridine
CID 24819159
5-(2-methyl-2H-imidazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
CID 168275880
2-Phenylfuro[3,2-b]pyridine
CID 10987164
2-Methylfuro(3,2-b)pyridine
CID 13580283
ISUPSL-CHO-3-226c-2
CID 24792634
1-[2-[2-(4-Methoxyphenyl)furo[3,2-b]pyridin-3-yl]ethynyl]cyclohexanol
CID 24794283
6-Phenyl-3-pyridin-4-ylfuro[3,2-b]pyridine
CID 171471476

Frequently Asked Questions

What is the IUPAC name of difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide?
The IUPAC name of difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide (CID 72771040) is difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide.
What is the SMILES notation for difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide?
The canonical SMILES for difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide is F[B-](F)(O[n+]1cccc2oc(-c3ccccc3)cc21)C(F)(F)F.
What is the InChIKey of difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide?
The InChIKey is RDKODUJTOKSMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BF5NO2/c16-14(17,18)15(19,20)23-21-8-4-7-12-11(21)9-13(22-12)10-5-2-1-3-6-10/h1-9H.
What are the key properties of difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide?
difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide has a molecular weight of 329.03 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(2-phenylfuro[3,2-b]pyridin-4-ium-4-yl)oxy-(trifluoromethyl)boranuide is sourced from PubChem (CID 72771040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).