potassium but-3-enyl(trifluoro)boranuide

C4H7BF3K — CID 23666761

IUPACpotassium but-3-enyl(trifluoro)boranuide
SMILESC=CCC[B-](F)(F)F.[K+]
InChIInChI=1S/C4H7BF3.K/c1-2-3-4-5(6,7)8;/h2H,1,3-4H2;/q-1;+1
InChIKeyUPXWGXKSNOQOKH-UHFFFAOYSA-N
MW162.00 g/mol
LogP-0.59
Rot. Bonds3

About potassium but-3-enyl(trifluoro)boranuide

potassium but-3-enyl(trifluoro)boranuide (PubChem CID 23666761) has the molecular formula C4H7BF3K and a molecular weight of 162.00 g/mol. Its IUPAC name is potassium but-3-enyl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium but-3-enyl(trifluoro)boranuide
PubChem CID23666761
Molecular FormulaC4H7BF3K
Molecular Weight162.00 g/mol
Exact Mass162.02
IUPAC Namepotassium but-3-enyl(trifluoro)boranuide
SMILESC=CCC[B-](F)(F)F.[K+]
InChIInChI=1S/C4H7BF3.K/c1-2-3-4-5(6,7)8;/h2H,1,3-4H2;/q-1;+1
InChIKeyUPXWGXKSNOQOKH-UHFFFAOYSA-N
XLogP-0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.00
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trifluoro(prop-2-enyl)boranuide
CID 10909718
potassium trifluoro-[(prop-2-enylamino)methyl]boranuide
CID 55280003
prop-2-enylazanium tetrafluoroborate
CID 87318754
heptacosa-1,26-diene
CID 58905535
(5E)-deca-1,5,9-triene
CID 5362636
heptadeca-1,16-diene
CID 6429392
trifluoro(1-hydroxyundec-10-enyl)boranuide
CID 135002996
fluoro-tris(prop-2-enoxy)boranuide
CID 170534151
bis(prop-2-enyl)azanium tetrafluoroborate
CID 19002275
1-fluorohexa-1,5-diene
CID 154126554
1-fluorohex-5-en-1-ol
CID 165382533
2,2-difluorohex-5-en-1-ol
CID 150546008

Frequently Asked Questions

What is the IUPAC name of potassium but-3-enyl(trifluoro)boranuide?
The IUPAC name of potassium but-3-enyl(trifluoro)boranuide (CID 23666761) is potassium but-3-enyl(trifluoro)boranuide.
What is the SMILES notation for potassium but-3-enyl(trifluoro)boranuide?
The canonical SMILES for potassium but-3-enyl(trifluoro)boranuide is C=CCC[B-](F)(F)F.[K+].
What is the InChIKey of potassium but-3-enyl(trifluoro)boranuide?
The InChIKey is UPXWGXKSNOQOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BF3.K/c1-2-3-4-5(6,7)8;/h2H,1,3-4H2;/q-1;+1.
What are the key properties of potassium but-3-enyl(trifluoro)boranuide?
potassium but-3-enyl(trifluoro)boranuide has a molecular weight of 162.00 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium but-3-enyl(trifluoro)boranuide is sourced from PubChem (CID 23666761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).