[2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide

C13H9BCl2F3O- — CID 63677225

IUPAC[2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1ccccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H9BCl2F3O/c15-11-5-3-6-12(16)9(11)8-20-13-7-2-1-4-10(13)14(17,18)19/h1-7H,8H2/q-1
InChIKeyANPVXJYPFNREPX-UHFFFAOYSA-N
MW319.93 g/mol
LogP4.63
Rot. Bonds4

About [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide

[2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide (PubChem CID 63677225) has the molecular formula C13H9BCl2F3O- and a molecular weight of 319.93 g/mol. Its IUPAC name is [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide.

Molecular Properties

Compound Name[2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
PubChem CID63677225
Molecular FormulaC13H9BCl2F3O-
Molecular Weight319.93 g/mol
Exact Mass319.01
IUPAC Name[2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1ccccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H9BCl2F3O/c15-11-5-3-6-12(16)9(11)8-20-13-7-2-1-4-10(13)14(17,18)19/h1-7H,8H2/q-1
InChIKeyANPVXJYPFNREPX-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.93
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677224
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 115983156
potassium [2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 102616637
2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol
CID 78879031
[2-(2-chlorophenoxy)phenyl]-trifluoroboranuide
CID 134969545
potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677693
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76905309

Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide?
The IUPAC name of [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide (CID 63677225) is [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide.
What is the SMILES notation for [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide?
The canonical SMILES for [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide is F[B-](F)(F)c1ccccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide?
The InChIKey is ANPVXJYPFNREPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BCl2F3O/c15-11-5-3-6-12(16)9(11)8-20-13-7-2-1-4-10(13)14(17,18)19/h1-7H,8H2/q-1.
What are the key properties of [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide?
[2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide has a molecular weight of 319.93 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide is sourced from PubChem (CID 63677225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).