potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide

C15H15BF3KO — CID 63677250

IUPACpotassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide
SMILESCC(C)=CCOc1ccc2ccccc2c1[B-](F)(F)F.[K+]
InChIInChI=1S/C15H15BF3O.K/c1-11(2)9-10-20-14-8-7-12-5-3-4-6-13(12)15(14)16(17,18)19;/h3-9H,10H2,1-2H3;/q-1;+1
InChIKeyXLWDTPHEWUJOSI-UHFFFAOYSA-N
MW318.19 g/mol
LogP1.24
Rot. Bonds4

About potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide

potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide (PubChem CID 63677250) has the molecular formula C15H15BF3KO and a molecular weight of 318.19 g/mol. Its IUPAC name is potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide
PubChem CID63677250
Molecular FormulaC15H15BF3KO
Molecular Weight318.19 g/mol
Exact Mass318.08
IUPAC Namepotassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide
SMILESCC(C)=CCOc1ccc2ccccc2c1[B-](F)(F)F.[K+]
InChIInChI=1S/C15H15BF3O.K/c1-11(2)9-10-20-14-8-7-12-5-3-4-6-13(12)15(14)16(17,18)19;/h3-9H,10H2,1-2H3;/q-1;+1
InChIKeyXLWDTPHEWUJOSI-UHFFFAOYSA-N
XLogP1.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide
CID 63677261
potassium trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677244
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677245
(2-butoxynaphthalen-1-yl)-trifluoroboranuide
CID 63677253
2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930367
trifluoro-(2-propan-2-yloxynaphthalen-1-yl)boranuide
CID 63677449
3-(3-methylbut-2-enoxy)naphthalen-2-ol
CID 43143628
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene
CID 23382023
3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole
CID 91493313
1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one
CID 140979702

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide?
The IUPAC name of potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide (CID 63677250) is potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide?
The canonical SMILES for potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide is CC(C)=CCOc1ccc2ccccc2c1[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide?
The InChIKey is XLWDTPHEWUJOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BF3O.K/c1-11(2)9-10-20-14-8-7-12-5-3-4-6-13(12)15(14)16(17,18)19;/h3-9H,10H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide?
potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide has a molecular weight of 318.19 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide is sourced from PubChem (CID 63677250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).