(4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane

C15H18BF — CID 66925498

IUPAC(4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane
SMILESC=CCB(CC=C)c1ccc(F)cc1CC=C
InChIInChI=1S/C15H18BF/c1-4-7-13-12-14(17)8-9-15(13)16(10-5-2)11-6-3/h4-6,8-9,12H,1-3,7,10-11H2
InChIKeyLRIKRZNXVWGFQI-UHFFFAOYSA-N
MW228.12 g/mol
LogP3.63
Rot. Bonds7

About (4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane

(4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane (PubChem CID 66925498) has the molecular formula C15H18BF and a molecular weight of 228.12 g/mol. Its IUPAC name is (4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane.

Molecular Properties

Compound Name(4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane
PubChem CID66925498
Molecular FormulaC15H18BF
Molecular Weight228.12 g/mol
Exact Mass228.15
IUPAC Name(4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane
SMILESC=CCB(CC=C)c1ccc(F)cc1CC=C
InChIInChI=1S/C15H18BF/c1-4-7-13-12-14(17)8-9-15(13)16(10-5-2)11-6-3/h4-6,8-9,12H,1-3,7,10-11H2
InChIKeyLRIKRZNXVWGFQI-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 (4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane?
The IUPAC name of (4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane (CID 66925498) is (4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane.
What is the SMILES notation for (4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane?
The canonical SMILES for (4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane is C=CCB(CC=C)c1ccc(F)cc1CC=C.
What is the InChIKey of (4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane?
The InChIKey is LRIKRZNXVWGFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BF/c1-4-7-13-12-14(17)8-9-15(13)16(10-5-2)11-6-3/h4-6,8-9,12H,1-3,7,10-11H2.
What are the key properties of (4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane?
(4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane has a molecular weight of 228.12 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane is sourced from PubChem (CID 66925498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).