potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide

C14H12BClF3KO — CID 63676426

IUPACpotassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide
SMILESCc1cc([B-](F)(F)F)ccc1OCc1ccc(Cl)cc1.[K+]
InChIInChI=1S/C14H12BClF3O.K/c1-10-8-12(15(17,18)19)4-7-14(10)20-9-11-2-5-13(16)6-3-11;/h2-8H,9H2,1H3;/q-1;+1
InChIKeyVMWMOZHPZSIHLV-UHFFFAOYSA-N
MW338.61 g/mol
LogP1.29
Rot. Bonds4

About potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide

potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide (PubChem CID 63676426) has the molecular formula C14H12BClF3KO and a molecular weight of 338.61 g/mol. Its IUPAC name is potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide
PubChem CID63676426
Molecular FormulaC14H12BClF3KO
Molecular Weight338.61 g/mol
Exact Mass338.03
IUPAC Namepotassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide
SMILESCc1cc([B-](F)(F)F)ccc1OCc1ccc(Cl)cc1.[K+]
InChIInChI=1S/C14H12BClF3O.K/c1-10-8-12(15(17,18)19)4-7-14(10)20-9-11-2-5-13(16)6-3-11;/h2-8H,9H2,1H3;/q-1;+1
InChIKeyVMWMOZHPZSIHLV-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.61
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 63677902
potassium trifluoro-[4-(methoxymethoxy)-3-methylphenyl]boranuide
CID 65364399
potassium trifluoro-[3-methyl-4-(2-methylpropoxy)phenyl]boranuide
CID 63677895
[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63678280
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene
CID 10736623
3-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]prop-2-yn-1-ol
CID 63214756
trifluoro-[4-(4-methoxybutoxy)-3-methylphenyl]boranuide
CID 104648209
[4-[(4-chloro-2-methylphenoxy)methyl]phenyl]-trimethylsilane
CID 103438613
potassium trifluoro-(4-hexoxy-3-methylphenyl)boranuide
CID 63675475
trifluoro-(3-methyl-4-pentoxyphenyl)boranuide
CID 63677890
potassium trifluoro-[4-fluoro-3-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 114675053

Frequently Asked Questions

What is the IUPAC name of potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide?
The IUPAC name of potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide (CID 63676426) is potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide?
The canonical SMILES for potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide is Cc1cc([B-](F)(F)F)ccc1OCc1ccc(Cl)cc1.[K+].
What is the InChIKey of potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide?
The InChIKey is VMWMOZHPZSIHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BClF3O.K/c1-10-8-12(15(17,18)19)4-7-14(10)20-9-11-2-5-13(16)6-3-11;/h2-8H,9H2,1H3;/q-1;+1.
What are the key properties of potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide?
potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide has a molecular weight of 338.61 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide is sourced from PubChem (CID 63676426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).