potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide

C7H5BF5KO — CID 63675286

IUPACpotassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide
SMILESCOc1cc(F)c([B-](F)(F)F)c(F)c1.[K+]
InChIInChI=1S/C7H5BF5O.K/c1-14-4-2-5(9)7(6(10)3-4)8(11,12)13;/h2-3H,1H3;/q-1;+1
InChIKeyCOADYOGVBLOZSQ-UHFFFAOYSA-N
MW250.02 g/mol
LogP-0.97
Rot. Bonds2

About potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide

potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide (PubChem CID 63675286) has the molecular formula C7H5BF5KO and a molecular weight of 250.02 g/mol. Its IUPAC name is potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide
PubChem CID63675286
Molecular FormulaC7H5BF5KO
Molecular Weight250.02 g/mol
Exact Mass250.00
IUPAC Namepotassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide
SMILESCOc1cc(F)c([B-](F)(F)F)c(F)c1.[K+]
InChIInChI=1S/C7H5BF5O.K/c1-14-4-2-5(9)7(6(10)3-4)8(11,12)13;/h2-3H,1H3;/q-1;+1
InChIKeyCOADYOGVBLOZSQ-UHFFFAOYSA-N
XLogP-0.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.02
LogP ≤ 5-0.97
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

1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239
1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657
2-fluoro-4,6-dimethoxybenzenethiol
CID 91874712
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
CID 162342560
2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene
CID 53403518
(3-chloro-5-methoxyphenyl)-trifluoroboranuide
CID 75487777
phosphane;1,3,5-trimethoxybenzene
CID 175232895
2,6-difluoro-4-methoxybenzenesulfonyl chloride
CID 54592549
1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878

Frequently Asked Questions

What is the IUPAC name of potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide?
The IUPAC name of potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide (CID 63675286) is potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide.
What is the SMILES notation for potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide?
The canonical SMILES for potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide is COc1cc(F)c([B-](F)(F)F)c(F)c1.[K+].
What is the InChIKey of potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide?
The InChIKey is COADYOGVBLOZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF5O.K/c1-14-4-2-5(9)7(6(10)3-4)8(11,12)13;/h2-3H,1H3;/q-1;+1.
What are the key properties of potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide?
potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide has a molecular weight of 250.02 g/mol, XLogP of -0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide is sourced from PubChem (CID 63675286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).