potassium 1,2-difluoro-4-methanidylbenzene

C7H5F2K — CID 162451456

IUPACpotassium 1,2-difluoro-4-methanidylbenzene
SMILES[CH2-]c1ccc(F)c(F)c1.[K+]
InChIInChI=1S/C7H5F2.K/c1-5-2-3-6(8)7(9)4-5;/h2-4H,1H2;/q-1;+1
InChIKeyNDVBCHHOSXZYCG-UHFFFAOYSA-N
MW166.21 g/mol
LogP-0.85
Rot. Bonds

About potassium 1,2-difluoro-4-methanidylbenzene

potassium 1,2-difluoro-4-methanidylbenzene (PubChem CID 162451456) has the molecular formula C7H5F2K and a molecular weight of 166.21 g/mol. Its IUPAC name is potassium 1,2-difluoro-4-methanidylbenzene.

Molecular Properties

Compound Namepotassium 1,2-difluoro-4-methanidylbenzene
PubChem CID162451456
Molecular FormulaC7H5F2K
Molecular Weight166.21 g/mol
Exact Mass166.00
IUPAC Namepotassium 1,2-difluoro-4-methanidylbenzene
SMILES[CH2-]c1ccc(F)c(F)c1.[K+]
InChIInChI=1S/C7H5F2.K/c1-5-2-3-6(8)7(9)4-5;/h2-4H,1H2;/q-1;+1
InChIKeyNDVBCHHOSXZYCG-UHFFFAOYSA-N
XLogP-0.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

magnesium;1,2-difluoro-4-methanidylbenzene;bromide
CID 6093575
magnesium;hydride;1,2,4-trifluorobenzene
CID 174647436
1,2-difluoro-4-iodobenzene
CID 2724444
1,2,3-trifluoro-5-methanidylbenzene;zinc;hydrobromide
CID 87129193
tris(3,4-difluorophenyl)bismuthane
CID 87591031
4-bromo-1,2-difluorobenzene;dihydrofluoride
CID 174492303
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
potassium (3,4-difluorophenyl)methyl-trifluoroboranuide
CID 82924814
1,2,4,5-tetrafluorobenzene;zinc
CID 174910497
1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene
CID 58769561
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
1,2-difluoro-4-(iodomethyl)benzene
CID 11161116

Frequently Asked Questions

What is the IUPAC name of potassium 1,2-difluoro-4-methanidylbenzene?
The IUPAC name of potassium 1,2-difluoro-4-methanidylbenzene (CID 162451456) is potassium 1,2-difluoro-4-methanidylbenzene.
What is the SMILES notation for potassium 1,2-difluoro-4-methanidylbenzene?
The canonical SMILES for potassium 1,2-difluoro-4-methanidylbenzene is [CH2-]c1ccc(F)c(F)c1.[K+].
What is the InChIKey of potassium 1,2-difluoro-4-methanidylbenzene?
The InChIKey is NDVBCHHOSXZYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2.K/c1-5-2-3-6(8)7(9)4-5;/h2-4H,1H2;/q-1;+1.
What are the key properties of potassium 1,2-difluoro-4-methanidylbenzene?
potassium 1,2-difluoro-4-methanidylbenzene has a molecular weight of 166.21 g/mol, XLogP of -0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,2-difluoro-4-methanidylbenzene is sourced from PubChem (CID 162451456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).