[2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid

C10H10BF3O3 — CID 66837584

IUPAC[2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid
SMILESC=C(OC)c1cc(C(F)(F)F)ccc1B(O)O
InChIInChI=1S/C10H10BF3O3/c1-6(17-2)8-5-7(10(12,13)14)3-4-9(8)11(15)16/h3-5,15-16H,1H2,2H3
InChIKeyUICAVEATGTUVFC-UHFFFAOYSA-N
MW245.99 g/mol
LogP1.00
Rot. Bonds3

About [2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid

[2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid (PubChem CID 66837584) has the molecular formula C10H10BF3O3 and a molecular weight of 245.99 g/mol. Its IUPAC name is [2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid
PubChem CID66837584
Molecular FormulaC10H10BF3O3
Molecular Weight245.99 g/mol
Exact Mass246.07
IUPAC Name[2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid
SMILESC=C(OC)c1cc(C(F)(F)F)ccc1B(O)O
InChIInChI=1S/C10H10BF3O3/c1-6(17-2)8-5-7(10(12,13)14)3-4-9(8)11(15)16/h3-5,15-16H,1H2,2H3
InChIKeyUICAVEATGTUVFC-UHFFFAOYSA-N
XLogP1.00
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.99
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)phenyl]boronic acid
CID 69128224
azane;[2,4-bis(trifluoromethyl)phenyl]boronic acid
CID 162335325
[2-amino-5-(trifluoromethyl)phenyl]boronic acid
CID 68785619
[2-formyl-4-(trifluoromethyl)phenyl]boronic acid
CID 53216333
[2-cyano-4-(trifluoromethyl)phenyl]boronic acid
CID 53216599
[2-(dimethylamino)-5-(trifluoromethyl)phenyl]boronic acid
CID 91758868
[2-cyclopropyl-4-(trifluoromethyl)phenyl]boronic acid
CID 66520859
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
methyl 2-cyano-5-(trifluoromethyl)benzoate
CID 134648235
2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid?
The IUPAC name of [2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid (CID 66837584) is [2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid.
What is the SMILES notation for [2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid?
The canonical SMILES for [2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid is C=C(OC)c1cc(C(F)(F)F)ccc1B(O)O.
What is the InChIKey of [2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid?
The InChIKey is UICAVEATGTUVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BF3O3/c1-6(17-2)8-5-7(10(12,13)14)3-4-9(8)11(15)16/h3-5,15-16H,1H2,2H3.
What are the key properties of [2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid?
[2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid has a molecular weight of 245.99 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxyethenyl)-4-(trifluoromethyl)phenyl]boronic acid is sourced from PubChem (CID 66837584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).