potassium;1-fluoro-3-methanidylbenzene;trifluoroborane

C7H6BF4K — CID 175220113

IUPACpotassium;1-fluoro-3-methanidylbenzene;trifluoroborane
SMILESFB(F)F.[CH2-]c1cccc(F)c1.[K+]
InChIInChI=1S/C7H6F.BF3.K/c1-6-3-2-4-7(8)5-6;2-1(3)4;/h2-5H,1H2;;/q-1;;+1
InChIKeyNMIVFSYVXZRZAJ-UHFFFAOYSA-N
MW216.03 g/mol
LogP-0.11
Rot. Bonds

About potassium;1-fluoro-3-methanidylbenzene;trifluoroborane

potassium;1-fluoro-3-methanidylbenzene;trifluoroborane (PubChem CID 175220113) has the molecular formula C7H6BF4K and a molecular weight of 216.03 g/mol. Its IUPAC name is potassium;1-fluoro-3-methanidylbenzene;trifluoroborane.

Molecular Properties

Compound Namepotassium;1-fluoro-3-methanidylbenzene;trifluoroborane
PubChem CID175220113
Molecular FormulaC7H6BF4K
Molecular Weight216.03 g/mol
Exact Mass216.01
IUPAC Namepotassium;1-fluoro-3-methanidylbenzene;trifluoroborane
SMILESFB(F)F.[CH2-]c1cccc(F)c1.[K+]
InChIInChI=1S/C7H6F.BF3.K/c1-6-3-2-4-7(8)5-6;2-1(3)4;/h2-5H,1H2;;/q-1;;+1
InChIKeyNMIVFSYVXZRZAJ-UHFFFAOYSA-N
XLogP-0.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
1,3-difluorobenzene;methanol
CID 144994633
potassium tetrakis(3-fluorophenyl)boranuide
CID 139716040
ethane;1-fluoro-3-methylbenzene
CID 123790085
3-chloro-1-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 71309867
potassium 1,2-difluoro-4-methanidylbenzene
CID 162451456
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
1,3-difluorobenzene;formic acid
CID 158586074
1-bromo-3-fluorobenzene;sulfane
CID 174932611
sodium;1-fluoro-3-methylbenzene;hydride
CID 174603883
1,3-difluorobenzene;sulfuryl dichloride
CID 87166886
acetaldehyde;1,3-difluorobenzene
CID 160854263

Frequently Asked Questions

What is the IUPAC name of potassium;1-fluoro-3-methanidylbenzene;trifluoroborane?
The IUPAC name of potassium;1-fluoro-3-methanidylbenzene;trifluoroborane (CID 175220113) is potassium;1-fluoro-3-methanidylbenzene;trifluoroborane.
What is the SMILES notation for potassium;1-fluoro-3-methanidylbenzene;trifluoroborane?
The canonical SMILES for potassium;1-fluoro-3-methanidylbenzene;trifluoroborane is FB(F)F.[CH2-]c1cccc(F)c1.[K+].
What is the InChIKey of potassium;1-fluoro-3-methanidylbenzene;trifluoroborane?
The InChIKey is NMIVFSYVXZRZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F.BF3.K/c1-6-3-2-4-7(8)5-6;2-1(3)4;/h2-5H,1H2;;/q-1;;+1.
What are the key properties of potassium;1-fluoro-3-methanidylbenzene;trifluoroborane?
potassium;1-fluoro-3-methanidylbenzene;trifluoroborane has a molecular weight of 216.03 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-fluoro-3-methanidylbenzene;trifluoroborane is sourced from PubChem (CID 175220113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).