[2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol

C16H23BFNO3 — CID 170806212

About [2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol

[2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol (PubChem CID 170806212) has the molecular formula C16H23BFNO3 and a molecular weight of 307.17 g/mol. Its IUPAC name is [2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol.

Molecular Properties

• Compound Name: [2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol
• PubChem CID: 170806212
• Molecular Formula: C16H23BFNO3
• Molecular Weight: 307.17 g/mol
• Exact Mass: 307.18
• IUPAC Name: [2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol
• SMILES: CC1(C)OB(C(=Cc2cc(F)ccc2CO)CN)OC1(C)C
• InChI: InChI=1S/C16H23BFNO3/c1-15(2)16(3,4)22-17(21-15)13(9-19)7-12-8-14(18)6-5-11(12)10-20/h5-8,20H,9-10,19H2,1-4H3
• InChIKey: QYGZKJLNUNGULT-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 64.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.17
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol?

The IUPAC name of [2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol (CID 170806212) is [2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol.

What is the SMILES notation for [2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol?

The canonical SMILES for [2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol is CC1(C)OB(C(=Cc2cc(F)ccc2CO)CN)OC1(C)C.

What is the InChIKey of [2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol?

The InChIKey is QYGZKJLNUNGULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BFNO3/c1-15(2)16(3,4)22-17(21-15)13(9-19)7-12-8-14(18)6-5-11(12)10-20/h5-8,20H,9-10,19H2,1-4H3.

What are the key properties of [2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol?

[2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol has a molecular weight of 307.17 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-fluorophenyl]methanol is sourced from PubChem (CID 170806212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).