dimethoxy-[4-(trifluoromethyl)phenyl]borane

C9H10BF3O2 — CID 71413161

IUPACdimethoxy-[4-(trifluoromethyl)phenyl]borane
SMILESCOB(OC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10BF3O2/c1-14-10(15-2)8-5-3-7(4-6-8)9(11,12)13/h3-6H,1-2H3
InChIKeyFXAFJCWFFVNRLQ-UHFFFAOYSA-N
MW217.98 g/mol
LogP1.69
Rot. Bonds3

About dimethoxy-[4-(trifluoromethyl)phenyl]borane

dimethoxy-[4-(trifluoromethyl)phenyl]borane (PubChem CID 71413161) has the molecular formula C9H10BF3O2 and a molecular weight of 217.98 g/mol. Its IUPAC name is dimethoxy-[4-(trifluoromethyl)phenyl]borane.

Molecular Properties

Compound Namedimethoxy-[4-(trifluoromethyl)phenyl]borane
PubChem CID71413161
Molecular FormulaC9H10BF3O2
Molecular Weight217.98 g/mol
Exact Mass218.07
IUPAC Namedimethoxy-[4-(trifluoromethyl)phenyl]borane
SMILESCOB(OC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10BF3O2/c1-14-10(15-2)8-5-3-7(4-6-8)9(11,12)13/h3-6H,1-2H3
InChIKeyFXAFJCWFFVNRLQ-UHFFFAOYSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.98
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-[4-(trifluoromethyl)phenyl]borane?
The IUPAC name of dimethoxy-[4-(trifluoromethyl)phenyl]borane (CID 71413161) is dimethoxy-[4-(trifluoromethyl)phenyl]borane.
What is the SMILES notation for dimethoxy-[4-(trifluoromethyl)phenyl]borane?
The canonical SMILES for dimethoxy-[4-(trifluoromethyl)phenyl]borane is COB(OC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of dimethoxy-[4-(trifluoromethyl)phenyl]borane?
The InChIKey is FXAFJCWFFVNRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BF3O2/c1-14-10(15-2)8-5-3-7(4-6-8)9(11,12)13/h3-6H,1-2H3.
What are the key properties of dimethoxy-[4-(trifluoromethyl)phenyl]borane?
dimethoxy-[4-(trifluoromethyl)phenyl]borane has a molecular weight of 217.98 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[4-(trifluoromethyl)phenyl]borane is sourced from PubChem (CID 71413161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).