potassium (3,4-difluorophenyl)methyl-trifluoroboranuide

C7H5BF5K — CID 82924814

IUPACpotassium (3,4-difluorophenyl)methyl-trifluoroboranuide
SMILESFc1ccc(C[B-](F)(F)F)cc1F.[K+]
InChIInChI=1S/C7H5BF5.K/c9-6-2-1-5(3-7(6)10)4-8(11,12)13;/h1-3H,4H2;/q-1;+1
InChIKeyVXSISNWMCYIWFN-UHFFFAOYSA-N
MW234.02 g/mol
LogP-0.10
Rot. Bonds2

About potassium (3,4-difluorophenyl)methyl-trifluoroboranuide

potassium (3,4-difluorophenyl)methyl-trifluoroboranuide (PubChem CID 82924814) has the molecular formula C7H5BF5K and a molecular weight of 234.02 g/mol. Its IUPAC name is potassium (3,4-difluorophenyl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (3,4-difluorophenyl)methyl-trifluoroboranuide
PubChem CID82924814
Molecular FormulaC7H5BF5K
Molecular Weight234.02 g/mol
Exact Mass234.00
IUPAC Namepotassium (3,4-difluorophenyl)methyl-trifluoroboranuide
SMILESFc1ccc(C[B-](F)(F)F)cc1F.[K+]
InChIInChI=1S/C7H5BF5.K/c9-6-2-1-5(3-7(6)10)4-8(11,12)13;/h1-3H,4H2;/q-1;+1
InChIKeyVXSISNWMCYIWFN-UHFFFAOYSA-N
XLogP-0.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.02
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-4-(iodomethyl)benzene
CID 11161116
(3,4-difluorophenyl)methanol
CID 522833
(3,4-difluorophenyl)methylazanium
CID 6951691
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
1,2-difluoro-4-propylbenzene;methane
CID 160697343
1,2-difluoro-4-(methylsulfanylmethyl)benzene
CID 89093376
N,N-dichloro-1-(3,4-difluorophenyl)methanamine
CID 102529861
O-[(3,4-difluorophenyl)methyl]hydroxylamine
CID 19876093
1,2-difluoro-4-(2-methoxyethyl)benzene
CID 18372069
1,2-difluoro-4-(2-methylsulfanylethyl)benzene
CID 130735643
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340

Frequently Asked Questions

What is the IUPAC name of potassium (3,4-difluorophenyl)methyl-trifluoroboranuide?
The IUPAC name of potassium (3,4-difluorophenyl)methyl-trifluoroboranuide (CID 82924814) is potassium (3,4-difluorophenyl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (3,4-difluorophenyl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (3,4-difluorophenyl)methyl-trifluoroboranuide is Fc1ccc(C[B-](F)(F)F)cc1F.[K+].
What is the InChIKey of potassium (3,4-difluorophenyl)methyl-trifluoroboranuide?
The InChIKey is VXSISNWMCYIWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF5.K/c9-6-2-1-5(3-7(6)10)4-8(11,12)13;/h1-3H,4H2;/q-1;+1.
What are the key properties of potassium (3,4-difluorophenyl)methyl-trifluoroboranuide?
potassium (3,4-difluorophenyl)methyl-trifluoroboranuide has a molecular weight of 234.02 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3,4-difluorophenyl)methyl-trifluoroboranuide is sourced from PubChem (CID 82924814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).