potassium trifluoro-[(prop-2-enylamino)methyl]boranuide

C4H8BF3KN — CID 55280003

IUPACpotassium trifluoro-[(prop-2-enylamino)methyl]boranuide
SMILESC=CCNC[B-](F)(F)F.[K+]
InChIInChI=1S/C4H8BF3N.K/c1-2-3-9-4-5(6,7)8;/h2,9H,1,3-4H2;/q-1;+1
InChIKeyVODIHGRTBOFVEI-UHFFFAOYSA-N
MW177.02 g/mol
LogP-1.85
Rot. Bonds4

About potassium trifluoro-[(prop-2-enylamino)methyl]boranuide

potassium trifluoro-[(prop-2-enylamino)methyl]boranuide (PubChem CID 55280003) has the molecular formula C4H8BF3KN and a molecular weight of 177.02 g/mol. Its IUPAC name is potassium trifluoro-[(prop-2-enylamino)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(prop-2-enylamino)methyl]boranuide
PubChem CID55280003
Molecular FormulaC4H8BF3KN
Molecular Weight177.02 g/mol
Exact Mass177.03
IUPAC Namepotassium trifluoro-[(prop-2-enylamino)methyl]boranuide
SMILESC=CCNC[B-](F)(F)F.[K+]
InChIInChI=1S/C4H8BF3N.K/c1-2-3-9-4-5(6,7)8;/h2,9H,1,3-4H2;/q-1;+1
InChIKeyVODIHGRTBOFVEI-UHFFFAOYSA-N
XLogP-1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.02
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(prop-2-enylamino)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(prop-2-enylamino)methyl]boranuide (CID 55280003) is potassium trifluoro-[(prop-2-enylamino)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(prop-2-enylamino)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(prop-2-enylamino)methyl]boranuide is C=CCNC[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[(prop-2-enylamino)methyl]boranuide?
The InChIKey is VODIHGRTBOFVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BF3N.K/c1-2-3-9-4-5(6,7)8;/h2,9H,1,3-4H2;/q-1;+1.
What are the key properties of potassium trifluoro-[(prop-2-enylamino)methyl]boranuide?
potassium trifluoro-[(prop-2-enylamino)methyl]boranuide has a molecular weight of 177.02 g/mol, XLogP of -1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(prop-2-enylamino)methyl]boranuide is sourced from PubChem (CID 55280003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).