2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H25BF2O6 — CID 178140469

IUPAC2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOc1cc(OC(F)F)cc(COC)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H25BF2O6/c1-16(2)17(3,4)26-18(25-16)14-11(9-21-5)7-12(24-15(19)20)8-13(14)23-10-22-6/h7-8,15H,9-10H2,1-6H3
InChIKeyFDKVIIWDOZCKRO-UHFFFAOYSA-N
MW374.19 g/mol
LogP2.72
Rot. Bonds8

About 2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 178140469) has the molecular formula C17H25BF2O6 and a molecular weight of 374.19 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID178140469
Molecular FormulaC17H25BF2O6
Molecular Weight374.19 g/mol
Exact Mass374.17
IUPAC Name2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOc1cc(OC(F)F)cc(COC)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H25BF2O6/c1-16(2)17(3,4)26-18(25-16)14-11(9-21-5)7-12(24-15(19)20)8-13(14)23-10-22-6/h7-8,15H,9-10H2,1-6H3
InChIKeyFDKVIIWDOZCKRO-UHFFFAOYSA-N
XLogP2.72
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 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-[2-ethyl-6-(methoxymethoxy)-4-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170787716
5-(difluoromethoxy)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 171778050
2-[4-(methoxymethoxy)-3-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66730510
ethane;2-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142412838
3-(difluoromethoxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 131618120
2-[3-(difluoromethoxy)-5-isocyanatophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169354927
2-[2-chloro-5-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171453744
2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66652582
2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170902239
2-[3-(difluoromethoxy)phenoxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 131700011
7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 166586259
2-fluoro-4-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CID 90408802

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 178140469) is 2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCOc1cc(OC(F)F)cc(COC)c1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FDKVIIWDOZCKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BF2O6/c1-16(2)17(3,4)26-18(25-16)14-11(9-21-5)7-12(24-15(19)20)8-13(14)23-10-22-6/h7-8,15H,9-10H2,1-6H3.
What are the key properties of 2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 374.19 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-2-(methoxymethoxy)-6-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 178140469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).