potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide

C9H15BF3KO2 — CID 106746629

IUPACpotassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide
SMILESC=C(COCC1CCCCO1)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H15BF3O2.K/c1-8(10(11,12)13)6-14-7-9-4-2-3-5-15-9;/h9H,1-7H2;/q-1;+1
InChIKeyDYQLYPOWWGUCLE-UHFFFAOYSA-N
MW262.12 g/mol
LogP-0.48
Rot. Bonds5

About potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide

potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide (PubChem CID 106746629) has the molecular formula C9H15BF3KO2 and a molecular weight of 262.12 g/mol. Its IUPAC name is potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide
PubChem CID106746629
Molecular FormulaC9H15BF3KO2
Molecular Weight262.12 g/mol
Exact Mass262.08
IUPAC Namepotassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide
SMILESC=C(COCC1CCCCO1)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H15BF3O2.K/c1-8(10(11,12)13)6-14-7-9-4-2-3-5-15-9;/h9H,1-7H2;/q-1;+1
InChIKeyDYQLYPOWWGUCLE-UHFFFAOYSA-N
XLogP-0.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 5-0.48
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-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide (CID 106746629) is potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide is C=C(COCC1CCCCO1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide?
The InChIKey is DYQLYPOWWGUCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BF3O2.K/c1-8(10(11,12)13)6-14-7-9-4-2-3-5-15-9;/h9H,1-7H2;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide has a molecular weight of 262.12 g/mol, XLogP of -0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(oxan-2-ylmethoxy)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).