fluoro-tris(prop-2-enoxy)boranuide

C9H15BFO3- — CID 170534151

IUPACfluoro-tris(prop-2-enoxy)boranuide
SMILESC=CCO[B-](F)(OCC=C)OCC=C
InChIInChI=1S/C9H15BFO3/c1-4-7-12-10(11,13-8-5-2)14-9-6-3/h4-6H,1-3,7-9H2/q-1
InChIKeyDJRCHPOJEGVYDG-UHFFFAOYSA-N
MW201.03 g/mol
LogP2.00
Rot. Bonds9

About fluoro-tris(prop-2-enoxy)boranuide

fluoro-tris(prop-2-enoxy)boranuide (PubChem CID 170534151) has the molecular formula C9H15BFO3- and a molecular weight of 201.03 g/mol. Its IUPAC name is fluoro-tris(prop-2-enoxy)boranuide.

Molecular Properties

Compound Namefluoro-tris(prop-2-enoxy)boranuide
PubChem CID170534151
Molecular FormulaC9H15BFO3-
Molecular Weight201.03 g/mol
Exact Mass201.11
IUPAC Namefluoro-tris(prop-2-enoxy)boranuide
SMILESC=CCO[B-](F)(OCC=C)OCC=C
InChIInChI=1S/C9H15BFO3/c1-4-7-12-10(11,13-8-5-2)14-9-6-3/h4-6H,1-3,7-9H2/q-1
InChIKeyDJRCHPOJEGVYDG-UHFFFAOYSA-N
XLogP2.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.03
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

prop-2-enylazanium tetrafluoroborate
CID 87318754
3-methanidyloxyprop-1-ene;rutherfordium
CID 162454034
trifluoro(prop-2-enyl)boranuide
CID 10909718
Potassium allyloxide
CID 87828396
potassium but-3-enyl(trifluoro)boranuide
CID 23666761
bis(prop-2-enyl)azanium tetrafluoroborate
CID 19002275
CID 173009539
CID 173009539
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
trizinc bis(trioxido(prop-2-enoxy)silane)
CID 173011776
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
CID 87625662
CID 87625662
sodium 3-oxidooxyprop-1-ene
CID 173219790

Frequently Asked Questions

What is the IUPAC name of fluoro-tris(prop-2-enoxy)boranuide?
The IUPAC name of fluoro-tris(prop-2-enoxy)boranuide (CID 170534151) is fluoro-tris(prop-2-enoxy)boranuide.
What is the SMILES notation for fluoro-tris(prop-2-enoxy)boranuide?
The canonical SMILES for fluoro-tris(prop-2-enoxy)boranuide is C=CCO[B-](F)(OCC=C)OCC=C.
What is the InChIKey of fluoro-tris(prop-2-enoxy)boranuide?
The InChIKey is DJRCHPOJEGVYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BFO3/c1-4-7-12-10(11,13-8-5-2)14-9-6-3/h4-6H,1-3,7-9H2/q-1.
What are the key properties of fluoro-tris(prop-2-enoxy)boranuide?
fluoro-tris(prop-2-enoxy)boranuide has a molecular weight of 201.03 g/mol, XLogP of 2.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-tris(prop-2-enoxy)boranuide is sourced from PubChem (CID 170534151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).