potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide

C8H8BF3KNO — CID 167725827

IUPACpotassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide
SMILESF[B-](F)(F)c1cccc2c1OCCN2.[K+]
InChIInChI=1S/C8H8BF3NO.K/c10-9(11,12)6-2-1-3-7-8(6)14-5-4-13-7;/h1-3,13H,4-5H2;/q-1;+1
InChIKeyOGPFDLNHXUQHHC-UHFFFAOYSA-N
MW241.06 g/mol
LogP-1.45
Rot. Bonds1

About potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide

potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide (PubChem CID 167725827) has the molecular formula C8H8BF3KNO and a molecular weight of 241.06 g/mol. Its IUPAC name is potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide
PubChem CID167725827
Molecular FormulaC8H8BF3KNO
Molecular Weight241.06 g/mol
Exact Mass241.03
IUPAC Namepotassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide
SMILESF[B-](F)(F)c1cccc2c1OCCN2.[K+]
InChIInChI=1S/C8H8BF3NO.K/c10-9(11,12)6-2-1-3-7-8(6)14-5-4-13-7;/h1-3,13H,4-5H2;/q-1;+1
InChIKeyOGPFDLNHXUQHHC-UHFFFAOYSA-N
XLogP-1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide?
The IUPAC name of potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide (CID 167725827) is potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide.
What is the SMILES notation for potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide?
The canonical SMILES for potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide is F[B-](F)(F)c1cccc2c1OCCN2.[K+].
What is the InChIKey of potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide?
The InChIKey is OGPFDLNHXUQHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BF3NO.K/c10-9(11,12)6-2-1-3-7-8(6)14-5-4-13-7;/h1-3,13H,4-5H2;/q-1;+1.
What are the key properties of potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide?
potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide has a molecular weight of 241.06 g/mol, XLogP of -1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,4-dihydro-2H-1,4-benzoxazin-8-yl(trifluoro)boranuide is sourced from PubChem (CID 167725827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).