[4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane

C16H16BCl2FO — CID 58429947

IUPAC[4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane
SMILESCB(C)c1ccc(COCc2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C16H16BCl2FO/c1-17(2)15-4-3-11(7-16(15)20)9-21-10-12-5-13(18)8-14(19)6-12/h3-8H,9-10H2,1-2H3
InChIKeyFUBPUYQQZMBHCO-UHFFFAOYSA-N
MW325.02 g/mol
LogP4.81
Rot. Bonds5

About [4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane

[4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane (PubChem CID 58429947) has the molecular formula C16H16BCl2FO and a molecular weight of 325.02 g/mol. Its IUPAC name is [4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane.

Molecular Properties

Compound Name[4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane
PubChem CID58429947
Molecular FormulaC16H16BCl2FO
Molecular Weight325.02 g/mol
Exact Mass324.07
IUPAC Name[4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane
SMILESCB(C)c1ccc(COCc2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C16H16BCl2FO/c1-17(2)15-4-3-11(7-16(15)20)9-21-10-12-5-13(18)8-14(19)6-12/h3-8H,9-10H2,1-2H3
InChIKeyFUBPUYQQZMBHCO-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.02
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine
CID 97057927
2-(4-chlorophenoxy)-4-[[3-(4-chlorophenoxy)-4-fluorophenyl]methoxymethyl]-1-fluorobenzene
CID 139679017
[4-[2-(3,4-dichlorophenyl)ethoxy]-2-fluorophenyl]-dimethylborane
CID 58430006
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
[2-[(4-chlorophenyl)methoxymethyl]-4-methoxyphenyl]boronic acid
CID 65327890
N-[[3-[(3-chlorophenyl)methoxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457759
[2-fluoro-5-(3-methylbutoxymethyl)phenyl]boronic acid
CID 54971119
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
CID 78766572
[4-[(3-chlorophenyl)methoxymethyl]phenyl]-trimethylsilane
CID 103438691
(E)-N-[(3,4-difluorophenyl)methoxy]ethanimine
CID 59571779
1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
CID 65490546
2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene
CID 57234743

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane?
The IUPAC name of [4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane (CID 58429947) is [4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane.
What is the SMILES notation for [4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane?
The canonical SMILES for [4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane is CB(C)c1ccc(COCc2cc(Cl)cc(Cl)c2)cc1F.
What is the InChIKey of [4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane?
The InChIKey is FUBPUYQQZMBHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BCl2FO/c1-17(2)15-4-3-11(7-16(15)20)9-21-10-12-5-13(18)8-14(19)6-12/h3-8H,9-10H2,1-2H3.
What are the key properties of [4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane?
[4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane has a molecular weight of 325.02 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane is sourced from PubChem (CID 58429947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).