potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide

C11H14BF4KO3 — CID 65202692

IUPACpotassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide
SMILESCOCCOCCOc1ccc([B-](F)(F)F)c(F)c1.[K+]
InChIInChI=1S/C11H14BF4O3.K/c1-17-4-5-18-6-7-19-9-2-3-10(11(13)8-9)12(14,15)16;/h2-3,8H,4-7H2,1H3;/q-1;+1
InChIKeyNCZPNOMCMXLPSX-UHFFFAOYSA-N
MW320.13 g/mol
LogP-1.07
Rot. Bonds8

About potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide

potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide (PubChem CID 65202692) has the molecular formula C11H14BF4KO3 and a molecular weight of 320.13 g/mol. Its IUPAC name is potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide
PubChem CID65202692
Molecular FormulaC11H14BF4KO3
Molecular Weight320.13 g/mol
Exact Mass320.06
IUPAC Namepotassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide
SMILESCOCCOCCOc1ccc([B-](F)(F)F)c(F)c1.[K+]
InChIInChI=1S/C11H14BF4O3.K/c1-17-4-5-18-6-7-19-9-2-3-10(11(13)8-9)12(14,15)16;/h2-3,8H,4-7H2,1H3;/q-1;+1
InChIKeyNCZPNOMCMXLPSX-UHFFFAOYSA-N
XLogP-1.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575
trifluoro-[2-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]boranuide
CID 65203069
trifluoro-[4-[3-(2-methoxyethoxy)propoxy]-2-methylphenyl]boranuide
CID 103410555
trifluoro-[4-[2-(3-methoxypropoxy)ethoxy]-2-methylphenyl]boranuide
CID 103180931
2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104563174
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677653
trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
trifluoro-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boranuide
CID 103410551
trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 65202804

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide (CID 65202692) is potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide is COCCOCCOc1ccc([B-](F)(F)F)c(F)c1.[K+].
What is the InChIKey of potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide?
The InChIKey is NCZPNOMCMXLPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BF4O3.K/c1-17-4-5-18-6-7-19-9-2-3-10(11(13)8-9)12(14,15)16;/h2-3,8H,4-7H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide?
potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide has a molecular weight of 320.13 g/mol, XLogP of -1.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide is sourced from PubChem (CID 65202692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).