potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide

C11H12BF4KO — CID 114472982

IUPACpotassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide
SMILESC=C(C)CCOc1ccc(F)cc1[B-](F)(F)F.[K+]
InChIInChI=1S/C11H12BF4O.K/c1-8(2)5-6-17-11-4-3-9(13)7-10(11)12(14,15)16;/h3-4,7H,1,5-6H2,2H3;/q-1;+1
InChIKeyNNCXFFCZHFIJKA-UHFFFAOYSA-N
MW286.12 g/mol
LogP0.23
Rot. Bonds5

About potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide

potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide (PubChem CID 114472982) has the molecular formula C11H12BF4KO and a molecular weight of 286.12 g/mol. Its IUPAC name is potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide
PubChem CID114472982
Molecular FormulaC11H12BF4KO
Molecular Weight286.12 g/mol
Exact Mass286.06
IUPAC Namepotassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide
SMILESC=C(C)CCOc1ccc(F)cc1[B-](F)(F)F.[K+]
InChIInChI=1S/C11H12BF4O.K/c1-8(2)5-6-17-11-4-3-9(13)7-10(11)12(14,15)16;/h3-4,7H,1,5-6H2,2H3;/q-1;+1
InChIKeyNNCXFFCZHFIJKA-UHFFFAOYSA-N
XLogP0.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 50.23
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-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide
CID 63704334
potassium trifluoro-[5-fluoro-2-(2-methylidenebutoxy)phenyl]boranuide
CID 66044783
trifluoro-[5-fluoro-2-(4-methoxybutoxy)phenyl]boranuide
CID 104648215
2-bromo-4-fluoro-1-(3-methylbut-3-enoxy)benzene
CID 114472657
trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
CID 63703027
potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide
CID 113233035
potassium trifluoro-[5-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 115514504
5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473030
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387
potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide
CID 113233041
potassium trifluoro-[5-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705318
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472844

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide (CID 114472982) is potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide is C=C(C)CCOc1ccc(F)cc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide?
The InChIKey is NNCXFFCZHFIJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BF4O.K/c1-8(2)5-6-17-11-4-3-9(13)7-10(11)12(14,15)16;/h3-4,7H,1,5-6H2,2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide?
potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide has a molecular weight of 286.12 g/mol, XLogP of 0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide is sourced from PubChem (CID 114472982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).