2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide

C33H27BF4O — CID 21079487

IUPAC2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide
SMILESC=C(C[OH2+])c1ccccc1.Fc1cccc([B-](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1
InChIInChI=1S/C24H16BF4.C9H10O/c26-21-9-1-5-17(13-21)25(18-6-2-10-22(27)14-18,19-7-3-11-23(28)15-19)20-8-4-12-24(29)16-20;1-8(7-10)9-5-3-2-4-6-9/h1-16H;2-6,10H,1,7H2/q-1;/p+1
InChIKeyGNMZHYUGMBJIRC-UHFFFAOYSA-O
MW526.38 g/mol
LogP5.04
Rot. Bonds6

About 2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide

2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide (PubChem CID 21079487) has the molecular formula C33H27BF4O and a molecular weight of 526.38 g/mol. Its IUPAC name is 2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide.

Molecular Properties

Compound Name2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide
PubChem CID21079487
Molecular FormulaC33H27BF4O
Molecular Weight526.38 g/mol
Exact Mass526.21
IUPAC Name2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide
SMILESC=C(C[OH2+])c1ccccc1.Fc1cccc([B-](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1
InChIInChI=1S/C24H16BF4.C9H10O/c26-21-9-1-5-17(13-21)25(18-6-2-10-22(27)14-18,19-7-3-11-23(28)15-19)20-8-4-12-24(29)16-20;1-8(7-10)9-5-3-2-4-6-9/h1-16H;2-6,10H,1,7H2/q-1;/p+1
InChIKeyGNMZHYUGMBJIRC-UHFFFAOYSA-O
XLogP5.04
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

potassium tetrakis(3-fluorophenyl)boranuide
CID 139716040
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CID 115328275
3,3-difluoro-3-(3-fluorophenyl)propanoic acid
CID 84672023
1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene
CID 102466586
(3-fluorophenyl)-hexyl-diphenylboranuide
CID 176748764
5-(3-fluorophenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 146004499
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328410
1-(3-fluorophenyl)-2-methylprop-2-en-1-one
CID 11159505
N'-[2-(3-fluorophenyl)acetyl]benzohydrazide
CID 9414915
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one
CID 63409962
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364

Frequently Asked Questions

What is the IUPAC name of 2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide?
The IUPAC name of 2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide (CID 21079487) is 2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide.
What is the SMILES notation for 2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide?
The canonical SMILES for 2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide is C=C(C[OH2+])c1ccccc1.Fc1cccc([B-](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1.
What is the InChIKey of 2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide?
The InChIKey is GNMZHYUGMBJIRC-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H16BF4.C9H10O/c26-21-9-1-5-17(13-21)25(18-6-2-10-22(27)14-18,19-7-3-11-23(28)15-19)20-8-4-12-24(29)16-20;1-8(7-10)9-5-3-2-4-6-9/h1-16H;2-6,10H,1,7H2/q-1;/p+1.
What are the key properties of 2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide?
2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide has a molecular weight of 526.38 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide is sourced from PubChem (CID 21079487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).