potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide

C14H11BClF4KO2 — CID 113443488

IUPACpotassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide
SMILESCOc1ccc(OCc2cccc(F)c2Cl)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C14H11BClF4O2.K/c1-21-10-5-6-13(11(7-10)15(18,19)20)22-8-9-3-2-4-12(17)14(9)16;/h2-7H,8H2,1H3;/q-1;+1
InChIKeyVWVPNSYFNYUEBT-UHFFFAOYSA-N
MW372.60 g/mol
LogP1.13
Rot. Bonds5

About potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide

potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide (PubChem CID 113443488) has the molecular formula C14H11BClF4KO2 and a molecular weight of 372.60 g/mol. Its IUPAC name is potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide
PubChem CID113443488
Molecular FormulaC14H11BClF4KO2
Molecular Weight372.60 g/mol
Exact Mass372.01
IUPAC Namepotassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide
SMILESCOc1ccc(OCc2cccc(F)c2Cl)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C14H11BClF4O2.K/c1-21-10-5-6-13(11(7-10)15(18,19)20)22-8-9-3-2-4-12(17)14(9)16;/h2-7H,8H2,1H3;/q-1;+1
InChIKeyVWVPNSYFNYUEBT-UHFFFAOYSA-N
XLogP1.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 115983156
2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
CID 115886848
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982659
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide
CID 104706273
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
CID 107284217
trifluoro-[5-methoxy-2-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 104706185
4-[(2-chloro-3-fluorophenyl)methoxy]phenol
CID 112652557
potassium trifluoro-[5-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 104706270
potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide
CID 104706284

Frequently Asked Questions

What is the IUPAC name of potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide?
The IUPAC name of potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide (CID 113443488) is potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide?
The canonical SMILES for potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide is COc1ccc(OCc2cccc(F)c2Cl)c([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide?
The InChIKey is VWVPNSYFNYUEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BClF4O2.K/c1-21-10-5-6-13(11(7-10)15(18,19)20)22-8-9-3-2-4-12(17)14(9)16;/h2-7H,8H2,1H3;/q-1;+1.
What are the key properties of potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide?
potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide has a molecular weight of 372.60 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide is sourced from PubChem (CID 113443488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).