[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite

C14H20BFO4 — CID 145420344

IUPAC[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite
SMILESCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1COF
InChIInChI=1S/C14H20BFO4/c1-13(2)14(3,4)20-15(19-13)11-6-7-12(17-5)10(8-11)9-18-16/h6-8H,9H2,1-5H3
InChIKeyYBSOVBLHFDCZHN-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.40
Rot. Bonds4

About [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite

[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite (PubChem CID 145420344) has the molecular formula C14H20BFO4 and a molecular weight of 282.12 g/mol. Its IUPAC name is [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite.

Molecular Properties

Compound Name[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite
PubChem CID145420344
Molecular FormulaC14H20BFO4
Molecular Weight282.12 g/mol
Exact Mass282.14
IUPAC Name[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite
SMILESCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1COF
InChIInChI=1S/C14H20BFO4/c1-13(2)14(3,4)20-15(19-13)11-6-7-12(17-5)10(8-11)9-18-16/h6-8H,9H2,1-5H3
InChIKeyYBSOVBLHFDCZHN-UHFFFAOYSA-N
XLogP2.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(3,5-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249704
2-[4-methoxy-3-[(3-methoxycyclohexyl)oxymethyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249701
2-(3-iodo-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 121004358
CID 175457600
CID 175457600
[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 71658284
4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine
CID 113249409
2-[3-(3-fluoropropoxy)-4-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 147796105
2-[4-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171772584
2-(4-bromo-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66915525
2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 2734650
2-[4-(difluoromethyl)-3-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58452623
tert-butyl N-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
CID 59219171

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite?
The IUPAC name of [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite (CID 145420344) is [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite.
What is the SMILES notation for [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite?
The canonical SMILES for [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite is COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1COF.
What is the InChIKey of [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite?
The InChIKey is YBSOVBLHFDCZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BFO4/c1-13(2)14(3,4)20-15(19-13)11-6-7-12(17-5)10(8-11)9-18-16/h6-8H,9H2,1-5H3.
What are the key properties of [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite?
[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite has a molecular weight of 282.12 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite is sourced from PubChem (CID 145420344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).