2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H19BF2O2 — CID 162450812

IUPAC2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCc1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H19BF2O2/c1-6-10-11(7-9(16)8-12(10)17)15-18-13(2,3)14(4,5)19-15/h7-8H,6H2,1-5H3
InChIKeyGKWROFMBIDZAHT-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.83
Rot. Bonds2

About 2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 162450812) has the molecular formula C14H19BF2O2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID162450812
Molecular FormulaC14H19BF2O2
Molecular Weight268.11 g/mol
Exact Mass268.14
IUPAC Name2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCc1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H19BF2O2/c1-6-10-11(7-9(16)8-12(10)17)15-18-13(2,3)14(4,5)19-15/h7-8H,6H2,1-5H3
InChIKeyGKWROFMBIDZAHT-UHFFFAOYSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.83
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

3,5-difluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 162467123
4,4,5,5-tetramethyl-2-[2,3,4-trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 56973103
5-fluoro-2-hydroxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 134128653
2-chloro-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 51034569
1-ethyl-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CID 157397914
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
ethane;2-(3-ethyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 144795670
ethane;2-ethyl-1,5-difluoro-3-methylbenzene
CID 142885639
2-ethyl-3,5-difluorophenol
CID 131273539
2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140723688
deuterio-[2-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 123891792
3,4-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 166010390

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 162450812) is 2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCc1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GKWROFMBIDZAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BF2O2/c1-6-10-11(7-9(16)8-12(10)17)15-18-13(2,3)14(4,5)19-15/h7-8H,6H2,1-5H3.
What are the key properties of 2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 268.11 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 162450812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).