trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide

C7H9BF3O2- — CID 155290615

IUPACtrifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide
SMILESCOC(=O)C1CC(=C[B-](F)(F)F)C1
InChIInChI=1S/C7H9BF3O2/c1-13-7(12)6-2-5(3-6)4-8(9,10)11/h4,6H,2-3H2,1H3/q-1/b5-4-
InChIKeyAAIPPBBWUDOTHF-PLNGDYQASA-N
MW192.95 g/mol
LogP1.88
Rot. Bonds2

About trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide

trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide (PubChem CID 155290615) has the molecular formula C7H9BF3O2- and a molecular weight of 192.95 g/mol. Its IUPAC name is trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide
PubChem CID155290615
Molecular FormulaC7H9BF3O2-
Molecular Weight192.95 g/mol
Exact Mass193.07
IUPAC Nametrifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide
SMILESCOC(=O)C1CC(=C[B-](F)(F)F)C1
InChIInChI=1S/C7H9BF3O2/c1-13-7(12)6-2-5(3-6)4-8(9,10)11/h4,6H,2-3H2,1H3/q-1/b5-4-
InChIKeyAAIPPBBWUDOTHF-PLNGDYQASA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.95
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide?
The IUPAC name of trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide (CID 155290615) is trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide.
What is the SMILES notation for trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide?
The canonical SMILES for trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide is COC(=O)C1CC(=C[B-](F)(F)F)C1.
What is the InChIKey of trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide?
The InChIKey is AAIPPBBWUDOTHF-PLNGDYQASA-N. The full InChI is InChI=1S/C7H9BF3O2/c1-13-7(12)6-2-5(3-6)4-8(9,10)11/h4,6H,2-3H2,1H3/q-1/b5-4-.
What are the key properties of trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide?
trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide has a molecular weight of 192.95 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide is sourced from PubChem (CID 155290615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).