diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole

C22H24BF3N2O — CID 67927157

IUPACdiphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole
SMILESCOCn1ccnc1.FC(F)(F)C=CCCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16BF3.C5H8N2O/c19-17(20,21)13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-8-5-7-3-2-6-4-7/h1-7,9-13H,8,14H2;2-4H,5H2,1H3
InChIKeyZMMMMUBCWOPPTM-UHFFFAOYSA-N
MW400.25 g/mol
LogP4.29
Rot. Bonds7

About diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole

diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole (PubChem CID 67927157) has the molecular formula C22H24BF3N2O and a molecular weight of 400.25 g/mol. Its IUPAC name is diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole.

Molecular Properties

Compound Namediphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole
PubChem CID67927157
Molecular FormulaC22H24BF3N2O
Molecular Weight400.25 g/mol
Exact Mass400.19
IUPAC Namediphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole
SMILESCOCn1ccnc1.FC(F)(F)C=CCCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16BF3.C5H8N2O/c19-17(20,21)13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-8-5-7-3-2-6-4-7/h1-7,9-13H,8,14H2;2-4H,5H2,1H3
InChIKeyZMMMMUBCWOPPTM-UHFFFAOYSA-N
XLogP4.29
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.25
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole 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 diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole?
The IUPAC name of diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole (CID 67927157) is diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole.
What is the SMILES notation for diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole?
The canonical SMILES for diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole is COCn1ccnc1.FC(F)(F)C=CCCB(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole?
The InChIKey is ZMMMMUBCWOPPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BF3.C5H8N2O/c19-17(20,21)13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-8-5-7-3-2-6-4-7/h1-7,9-13H,8,14H2;2-4H,5H2,1H3.
What are the key properties of diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole?
diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole has a molecular weight of 400.25 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(5,5,5-trifluoropent-3-enyl)borane;1-(methoxymethyl)imidazole is sourced from PubChem (CID 67927157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).