potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide

C9H7BF7KO2 — CID 106705328

IUPACpotassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
SMILESFc1ccc([B-](F)(F)F)c(OCOCC(F)(F)F)c1.[K+]
InChIInChI=1S/C9H7BF7O2.K/c11-6-1-2-7(10(15,16)17)8(3-6)19-5-18-4-9(12,13)14;/h1-3H,4-5H2;/q-1;+1
InChIKeyZAVZTTKHBWUNOF-UHFFFAOYSA-N
MW330.05 g/mol
LogP-0.20
Rot. Bonds5

About potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide

potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide (PubChem CID 106705328) has the molecular formula C9H7BF7KO2 and a molecular weight of 330.05 g/mol. Its IUPAC name is potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
PubChem CID106705328
Molecular FormulaC9H7BF7KO2
Molecular Weight330.05 g/mol
Exact Mass330.01
IUPAC Namepotassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
SMILESFc1ccc([B-](F)(F)F)c(OCOCC(F)(F)F)c1.[K+]
InChIInChI=1S/C9H7BF7O2.K/c11-6-1-2-7(10(15,16)17)8(3-6)19-5-18-4-9(12,13)14;/h1-3H,4-5H2;/q-1;+1
InChIKeyZAVZTTKHBWUNOF-UHFFFAOYSA-N
XLogP-0.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.05
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

potassium trifluoro-[5-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705318
trifluoro-[2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705309
potassium trifluoro-[4-fluoro-3-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705337
trifluoro-[2-(2,2,2-trifluoroethoxy)phenyl]boranuide
CID 55233972
1-[5-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]-N-methylmethanamine
CID 107695379
trifluoro-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boranuide
CID 103410551
potassium [2-(2-ethylsulfonylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 106726802
potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide
CID 107007667
potassium trifluoro-[5-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 115514504
potassium trifluoro-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135595
4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
CID 166607729
[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol
CID 107690662

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide (CID 106705328) is potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide is Fc1ccc([B-](F)(F)F)c(OCOCC(F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide?
The InChIKey is ZAVZTTKHBWUNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BF7O2.K/c11-6-1-2-7(10(15,16)17)8(3-6)19-5-18-4-9(12,13)14;/h1-3H,4-5H2;/q-1;+1.
What are the key properties of potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide?
potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide has a molecular weight of 330.05 g/mol, XLogP of -0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide is sourced from PubChem (CID 106705328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).