benzamide;trifluoroborane

C7H7BF3NO — CID 158302663

IUPACbenzamide;trifluoroborane
SMILESFB(F)F.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.BF3/c8-7(9)6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H2,8,9);
InChIKeyGMRJZYKOEMZZBA-UHFFFAOYSA-N
MW188.95 g/mol
LogP1.67
Rot. Bonds1

About benzamide;trifluoroborane

benzamide;trifluoroborane (PubChem CID 158302663) has the molecular formula C7H7BF3NO and a molecular weight of 188.95 g/mol. Its IUPAC name is benzamide;trifluoroborane.

Molecular Properties

Compound Namebenzamide;trifluoroborane
PubChem CID158302663
Molecular FormulaC7H7BF3NO
Molecular Weight188.95 g/mol
Exact Mass189.06
IUPAC Namebenzamide;trifluoroborane
SMILESFB(F)F.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.BF3/c8-7(9)6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H2,8,9);
InChIKeyGMRJZYKOEMZZBA-UHFFFAOYSA-N
XLogP1.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.95
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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benzamide;dimethyltin
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CID 175327257
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CID 67043300

Frequently Asked Questions

What is the IUPAC name of benzamide;trifluoroborane?
The IUPAC name of benzamide;trifluoroborane (CID 158302663) is benzamide;trifluoroborane.
What is the SMILES notation for benzamide;trifluoroborane?
The canonical SMILES for benzamide;trifluoroborane is FB(F)F.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;trifluoroborane?
The InChIKey is GMRJZYKOEMZZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.BF3/c8-7(9)6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H2,8,9);.
What are the key properties of benzamide;trifluoroborane?
benzamide;trifluoroborane has a molecular weight of 188.95 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;trifluoroborane is sourced from PubChem (CID 158302663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).