potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide

C7H5BClF4KO — CID 116690712

IUPACpotassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide
SMILESFc1c(Cl)cccc1OC[B-](F)(F)F.[K+]
InChIInChI=1S/C7H5BClF4O.K/c9-5-2-1-3-6(7(5)10)14-4-8(11,12)13;/h1-3H,4H2;/q-1;+1
InChIKeyFJHMNPADRZXJOR-UHFFFAOYSA-N
MW266.47 g/mol
LogP0.25
Rot. Bonds3

About potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide

potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide (PubChem CID 116690712) has the molecular formula C7H5BClF4KO and a molecular weight of 266.47 g/mol. Its IUPAC name is potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide
PubChem CID116690712
Molecular FormulaC7H5BClF4KO
Molecular Weight266.47 g/mol
Exact Mass265.97
IUPAC Namepotassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide
SMILESFc1c(Cl)cccc1OC[B-](F)(F)F.[K+]
InChIInChI=1S/C7H5BClF4O.K/c9-5-2-1-3-6(7(5)10)14-4-8(11,12)13;/h1-3H,4H2;/q-1;+1
InChIKeyFJHMNPADRZXJOR-UHFFFAOYSA-N
XLogP0.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 50.25
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

potassium (2,6-dichlorophenoxy)methyl-trifluoroboranuide
CID 63702080
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene
CID 116688904
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
3-(3-chloro-2-fluorophenoxy)-N-methylpropan-1-amine
CID 116689634
2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol
CID 116689707
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
1-bromo-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688899
potassium (2-chloro-4-methylphenoxy)methyl-trifluoroboranuide
CID 63704186
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537
5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
CID 116690269
1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol
CID 116689725

Frequently Asked Questions

What is the IUPAC name of potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide?
The IUPAC name of potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide (CID 116690712) is potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide?
The canonical SMILES for potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide is Fc1c(Cl)cccc1OC[B-](F)(F)F.[K+].
What is the InChIKey of potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide?
The InChIKey is FJHMNPADRZXJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BClF4O.K/c9-5-2-1-3-6(7(5)10)14-4-8(11,12)13;/h1-3H,4H2;/q-1;+1.
What are the key properties of potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide?
potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide has a molecular weight of 266.47 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide is sourced from PubChem (CID 116690712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).