[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide

C13H10BClF3O- — CID 63678280

IUPAC[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H10BClF3O/c15-12-6-4-10(5-7-12)9-19-13-3-1-2-11(8-13)14(16,17)18/h1-8H,9H2/q-1
InChIKeyIQYPTRSYNOWLSQ-UHFFFAOYSA-N
MW285.48 g/mol
LogP3.97
Rot. Bonds4

About [3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide

[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide (PubChem CID 63678280) has the molecular formula C13H10BClF3O- and a molecular weight of 285.48 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
PubChem CID63678280
Molecular FormulaC13H10BClF3O-
Molecular Weight285.48 g/mol
Exact Mass285.05
IUPAC Name[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H10BClF3O/c15-12-6-4-10(5-7-12)9-19-13-3-1-2-11(8-13)14(16,17)18/h1-8H,9H2/q-1
InChIKeyIQYPTRSYNOWLSQ-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 53.97
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

trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095
potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63675843
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 63678085
potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
CID 63678299
trifluoro-[4-(phenoxymethyl)phenyl]boranuide
CID 140775679
[3-[(4-chlorophenyl)methoxy]phenoxy]boronic acid
CID 142764738
potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide
CID 63676426
1-[(4-chlorophenyl)methoxy]-3-nitrobenzene
CID 54035695
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole
CID 110539317
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide?
The IUPAC name of [3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide (CID 63678280) is [3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide.
What is the SMILES notation for [3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide?
The canonical SMILES for [3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide is F[B-](F)(F)c1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of [3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide?
The InChIKey is IQYPTRSYNOWLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BClF3O/c15-12-6-4-10(5-7-12)9-19-13-3-1-2-11(8-13)14(16,17)18/h1-8H,9H2/q-1.
What are the key properties of [3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide?
[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide has a molecular weight of 285.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide is sourced from PubChem (CID 63678280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).