potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide

C9H16BF3KNO — CID 106746211

IUPACpotassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)C1CCOC1C)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H16BF3NO.K/c1-7(10(11,12)13)6-14(3)9-4-5-15-8(9)2;/h8-9H,1,4-6H2,2-3H3;/q-1;+1
InChIKeyBNQCVJLIUIRSEW-UHFFFAOYSA-N
MW261.14 g/mol
LogP-0.96
Rot. Bonds4

About potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide

potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide (PubChem CID 106746211) has the molecular formula C9H16BF3KNO and a molecular weight of 261.14 g/mol. Its IUPAC name is potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide
PubChem CID106746211
Molecular FormulaC9H16BF3KNO
Molecular Weight261.14 g/mol
Exact Mass261.09
IUPAC Namepotassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)C1CCOC1C)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H16BF3NO.K/c1-7(10(11,12)13)6-14(3)9-4-5-15-8(9)2;/h8-9H,1,4-6H2,2-3H3;/q-1;+1
InChIKeyBNQCVJLIUIRSEW-UHFFFAOYSA-N
XLogP-0.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide (CID 106746211) is potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide is C=C(CN(C)C1CCOC1C)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide?
The InChIKey is BNQCVJLIUIRSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BF3NO.K/c1-7(10(11,12)13)6-14(3)9-4-5-15-8(9)2;/h8-9H,1,4-6H2,2-3H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide has a molecular weight of 261.14 g/mol, XLogP of -0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).