2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C23H28BFO2 — CID 154718674

IUPAC2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(=C\C(CB1OC(C)(C)C(C)(C)O1)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C23H28BFO2/c1-17(18-10-7-6-8-11-18)14-20(19-12-9-13-21(25)15-19)16-24-26-22(2,3)23(4,5)27-24/h6-15,20H,16H2,1-5H3/b17-14+
InChIKeyANVREOFSHGSPCA-SAPNQHFASA-N
MW366.29 g/mol
LogP6.11
Rot. Bonds5

About 2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 154718674) has the molecular formula C23H28BFO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID154718674
Molecular FormulaC23H28BFO2
Molecular Weight366.29 g/mol
Exact Mass366.22
IUPAC Name2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(=C\C(CB1OC(C)(C)C(C)(C)O1)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C23H28BFO2/c1-17(18-10-7-6-8-11-18)14-20(19-12-9-13-21(25)15-19)16-24-26-22(2,3)23(4,5)27-24/h6-15,20H,16H2,1-5H3/b17-14+
InChIKeyANVREOFSHGSPCA-SAPNQHFASA-N
XLogP6.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane
CID 177396818
4,4,5,5-tetramethyl-2-[(E)-4-phenyl-2-propan-2-ylpent-3-enyl]-1,3,2-dioxaborolane
CID 154712132
2-[1-(3-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46928619
2-[(Z)-2-(3-fluorophenyl)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 172638908
(3R)-3-(3-chlorophenyl)-1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-one
CID 71568130
3-(3-fluorophenyl)but-2-en-1-amine
CID 76996789
1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61223548
1-[1-(3-fluorophenyl)ethyl]cyclopentan-1-ol
CID 144756929
4,4,5,5-tetramethyl-2-[(Z)-1-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 15748693
4-phenylpent-3-ene-1,2-diol
CID 67185961
4-(3-fluorophenyl)-N-methylpent-3-en-1-amine
CID 79599336
dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane
CID 11259077

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 154718674) is 2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C(=C\C(CB1OC(C)(C)C(C)(C)O1)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of 2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ANVREOFSHGSPCA-SAPNQHFASA-N. The full InChI is InChI=1S/C23H28BFO2/c1-17(18-10-7-6-8-11-18)14-20(19-12-9-13-21(25)15-19)16-24-26-22(2,3)23(4,5)27-24/h6-15,20H,16H2,1-5H3/b17-14+.
What are the key properties of 2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 366.29 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-fluorophenyl)-4-phenylpent-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 154718674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).