potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide

C10H7BF3KO — CID 167726645

IUPACpotassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide
SMILESOc1cccc2ccc([B-](F)(F)F)cc12.[K+]
InChIInChI=1S/C10H7BF3O.K/c12-11(13,14)8-5-4-7-2-1-3-10(15)9(7)6-8;/h1-6,15H;/q-1;+1
InChIKeyORPNPJVDULANHP-UHFFFAOYSA-N
MW250.07 g/mol
LogP-0.40
Rot. Bonds1

About potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide

potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide (PubChem CID 167726645) has the molecular formula C10H7BF3KO and a molecular weight of 250.07 g/mol. Its IUPAC name is potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide
PubChem CID167726645
Molecular FormulaC10H7BF3KO
Molecular Weight250.07 g/mol
Exact Mass250.02
IUPAC Namepotassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide
SMILESOc1cccc2ccc([B-](F)(F)F)cc12.[K+]
InChIInChI=1S/C10H7BF3O.K/c12-11(13,14)8-5-4-7-2-1-3-10(15)9(7)6-8;/h1-6,15H;/q-1;+1
InChIKeyORPNPJVDULANHP-UHFFFAOYSA-N
XLogP-0.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 trifluoro-(8-hydroxynaphthalen-2-yl)boranuide?
The IUPAC name of potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide (CID 167726645) is potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide.
What is the SMILES notation for potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide?
The canonical SMILES for potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide is Oc1cccc2ccc([B-](F)(F)F)cc12.[K+].
What is the InChIKey of potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide?
The InChIKey is ORPNPJVDULANHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BF3O.K/c12-11(13,14)8-5-4-7-2-1-3-10(15)9(7)6-8;/h1-6,15H;/q-1;+1.
What are the key properties of potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide?
potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide has a molecular weight of 250.07 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(8-hydroxynaphthalen-2-yl)boranuide is sourced from PubChem (CID 167726645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).