trifluoromethylphosphanium tetrafluoroborate

CH3BF7P — CID 161052574

IUPACtrifluoromethylphosphanium tetrafluoroborate
SMILESFC(F)(F)[PH3+].F[B-](F)(F)F
InChIInChI=1S/CH2F3P.BF4/c2*2-1(3,4)5/h5H2;/q;-1/p+1
InChIKeyUCIGOQDFFQZHCI-UHFFFAOYSA-O
MW189.81 g/mol
LogP2.41
Rot. Bonds

About trifluoromethylphosphanium tetrafluoroborate

trifluoromethylphosphanium tetrafluoroborate (PubChem CID 161052574) has the molecular formula CH3BF7P and a molecular weight of 189.81 g/mol. Its IUPAC name is trifluoromethylphosphanium tetrafluoroborate.

Molecular Properties

Compound Nametrifluoromethylphosphanium tetrafluoroborate
PubChem CID161052574
Molecular FormulaCH3BF7P
Molecular Weight189.81 g/mol
Exact Mass190.00
IUPAC Nametrifluoromethylphosphanium tetrafluoroborate
SMILESFC(F)(F)[PH3+].F[B-](F)(F)F
InChIInChI=1S/CH2F3P.BF4/c2*2-1(3,4)5/h5H2;/q;-1/p+1
InChIKeyUCIGOQDFFQZHCI-UHFFFAOYSA-O
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.81
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

iridium(3+) tritetrafluoroborate
CID 18673244
lithium ditetrafluoroborate
CID 23116051
cadmium(2+) ditetrafluoroborate
CID 12886773
potassium tritetrafluoroborate
CID 173046282
CID 23619108
CID 23619108
alumane tetrafluoroborate
CID 173322026
scandium tetrafluoroborate
CID 173240081
azane tetrafluoroborate
CID 19994381
iron tritetrafluoroborate
CID 175279017
zirconium(4+) tetratetrafluoroborate
CID 158940392
azane;1,1,1,3,3,3-hexafluoropropane
CID 175100137
CID 158264253
CID 158264253

Frequently Asked Questions

What is the IUPAC name of trifluoromethylphosphanium tetrafluoroborate?
The IUPAC name of trifluoromethylphosphanium tetrafluoroborate (CID 161052574) is trifluoromethylphosphanium tetrafluoroborate.
What is the SMILES notation for trifluoromethylphosphanium tetrafluoroborate?
The canonical SMILES for trifluoromethylphosphanium tetrafluoroborate is FC(F)(F)[PH3+].F[B-](F)(F)F.
What is the InChIKey of trifluoromethylphosphanium tetrafluoroborate?
The InChIKey is UCIGOQDFFQZHCI-UHFFFAOYSA-O. The full InChI is InChI=1S/CH2F3P.BF4/c2*2-1(3,4)5/h5H2;/q;-1/p+1.
What are the key properties of trifluoromethylphosphanium tetrafluoroborate?
trifluoromethylphosphanium tetrafluoroborate has a molecular weight of 189.81 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylphosphanium tetrafluoroborate is sourced from PubChem (CID 161052574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).