2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H20BFO4 — CID 90043426

IUPAC2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(OC3COC3)cc2F)OC1(C)C
InChIInChI=1S/C15H20BFO4/c1-14(2)15(3,4)21-16(20-14)12-6-5-10(7-13(12)17)19-11-8-18-9-11/h5-7,11H,8-9H2,1-4H3
InChIKeyCMGUNMWZALFPSZ-UHFFFAOYSA-N
MW294.13 g/mol
LogP1.90
Rot. Bonds3

About 2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 90043426) has the molecular formula C15H20BFO4 and a molecular weight of 294.13 g/mol. Its IUPAC name is 2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID90043426
Molecular FormulaC15H20BFO4
Molecular Weight294.13 g/mol
Exact Mass294.14
IUPAC Name2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(OC3COC3)cc2F)OC1(C)C
InChIInChI=1S/C15H20BFO4/c1-14(2)15(3,4)21-16(20-14)12-6-5-10(7-13(12)17)19-11-8-18-9-11/h5-7,11H,8-9H2,1-4H3
InChIKeyCMGUNMWZALFPSZ-UHFFFAOYSA-N
XLogP1.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 90043426) is 2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(OC3COC3)cc2F)OC1(C)C.
What is the InChIKey of 2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is CMGUNMWZALFPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BFO4/c1-14(2)15(3,4)21-16(20-14)12-6-5-10(7-13(12)17)19-11-8-18-9-11/h5-7,11H,8-9H2,1-4H3.
What are the key properties of 2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 294.13 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 90043426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).