4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane

C15H18BF3O2 — CID 135060885

IUPAC4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H18BF3O2/c1-10(16-20-13(2,3)14(4,5)21-16)11-8-6-7-9-12(11)15(17,18)19/h6-9H,1H2,2-5H3
InChIKeyFBBALIXAEMNKMJ-UHFFFAOYSA-N
MW298.11 g/mol
LogP4.35
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane (PubChem CID 135060885) has the molecular formula C15H18BF3O2 and a molecular weight of 298.11 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane
PubChem CID135060885
Molecular FormulaC15H18BF3O2
Molecular Weight298.11 g/mol
Exact Mass298.14
IUPAC Name4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H18BF3O2/c1-10(16-20-13(2,3)14(4,5)21-16)11-8-6-7-9-12(11)15(17,18)19/h6-9H,1H2,2-5H3
InChIKeyFBBALIXAEMNKMJ-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 54.35
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

2-[1-(3-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46928619
1-pent-1-en-2-yl-2-(trifluoromethyl)benzene
CID 155364675
2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 117266986
4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)-1,3,2-dioxaborolane
CID 171112040
2,2,2-trifluoro-1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
CID 142478499
(NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine
CID 154038500
4,4,5,5-tetramethyl-2-[(Z)-1-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 15748693
2-[1-fluoro-2-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109918
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
methyl 2-(trifluoromethyl)benzoate
CID 2775578
ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 144582849
2-[1-fluoro-2-[2,3,4-trifluoro-6-(trifluoromethyl)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111180

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane (CID 135060885) is 4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)c1ccccc1C(F)(F)F.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane?
The InChIKey is FBBALIXAEMNKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BF3O2/c1-10(16-20-13(2,3)14(4,5)21-16)11-8-6-7-9-12(11)15(17,18)19/h6-9H,1H2,2-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane has a molecular weight of 298.11 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 135060885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).