potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide

C8H6BF6K — CID 63701463

IUPACpotassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide
SMILESF[B-](F)(F)Cc1cccc(C(F)(F)F)c1.[K+]
InChIInChI=1S/C8H6BF6.K/c10-8(11,12)7-3-1-2-6(4-7)5-9(13,14)15;/h1-4H,5H2;/q-1;+1
InChIKeyMEGCZAAGMUFQSD-UHFFFAOYSA-N
MW266.03 g/mol
LogP0.64
Rot. Bonds2

About potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide

potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide (PubChem CID 63701463) has the molecular formula C8H6BF6K and a molecular weight of 266.03 g/mol. Its IUPAC name is potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide
PubChem CID63701463
Molecular FormulaC8H6BF6K
Molecular Weight266.03 g/mol
Exact Mass266.01
IUPAC Namepotassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide
SMILESF[B-](F)(F)Cc1cccc(C(F)(F)F)c1.[K+]
InChIInChI=1S/C8H6BF6.K/c10-8(11,12)7-3-1-2-6(4-7)5-9(13,14)15;/h1-4H,5H2;/q-1;+1
InChIKeyMEGCZAAGMUFQSD-UHFFFAOYSA-N
XLogP0.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.03
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
CID 139245537
(3-chlorophenyl)methyl-trifluoroboranuide
CID 63704872
N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide
CID 77077245
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene
CID 58227067
1-(bromomethyl)-3-(trifluoromethyl)benzene;1-(bromomethyl)-4-(trifluoromethyl)benzene
CID 162007263
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide (CID 63701463) is potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide is F[B-](F)(F)Cc1cccc(C(F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide?
The InChIKey is MEGCZAAGMUFQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BF6.K/c10-8(11,12)7-3-1-2-6(4-7)5-9(13,14)15;/h1-4H,5H2;/q-1;+1.
What are the key properties of potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide?
potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide has a molecular weight of 266.03 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[[3-(trifluoromethyl)phenyl]methyl]boranuide is sourced from PubChem (CID 63701463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).