anisole;trifluoroborane

C14H16BF3O2 — CID 174665057

IUPACanisole;trifluoroborane
SMILESCOc1ccccc1.COc1ccccc1.FB(F)F
InChIInChI=1S/2C7H8O.BF3/c2*1-8-7-5-3-2-4-6-7;2-1(3)4/h2*2-6H,1H3;
InChIKeyKFHOFOAGUKXLFE-UHFFFAOYSA-N
MW284.09 g/mol
LogP4.27
Rot. Bonds2

About anisole;trifluoroborane

anisole;trifluoroborane (PubChem CID 174665057) has the molecular formula C14H16BF3O2 and a molecular weight of 284.09 g/mol. Its IUPAC name is anisole;trifluoroborane.

Molecular Properties

Compound Nameanisole;trifluoroborane
PubChem CID174665057
Molecular FormulaC14H16BF3O2
Molecular Weight284.09 g/mol
Exact Mass284.12
IUPAC Nameanisole;trifluoroborane
SMILESCOc1ccccc1.COc1ccccc1.FB(F)F
InChIInChI=1S/2C7H8O.BF3/c2*1-8-7-5-3-2-4-6-7;2-1(3)4/h2*2-6H,1H3;
InChIKeyKFHOFOAGUKXLFE-UHFFFAOYSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 54.27
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

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CID 161250692
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CID 175517246
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CID 142274985

Frequently Asked Questions

What is the IUPAC name of anisole;trifluoroborane?
The IUPAC name of anisole;trifluoroborane (CID 174665057) is anisole;trifluoroborane.
What is the SMILES notation for anisole;trifluoroborane?
The canonical SMILES for anisole;trifluoroborane is COc1ccccc1.COc1ccccc1.FB(F)F.
What is the InChIKey of anisole;trifluoroborane?
The InChIKey is KFHOFOAGUKXLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O.BF3/c2*1-8-7-5-3-2-4-6-7;2-1(3)4/h2*2-6H,1H3;.
What are the key properties of anisole;trifluoroborane?
anisole;trifluoroborane has a molecular weight of 284.09 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;trifluoroborane is sourced from PubChem (CID 174665057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).