[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide

C15H12BClF3O2- — CID 113403343

IUPAC[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1ccccc1OCc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H12BClF3O2/c17-12-7-10-5-6-21-15(10)11(8-12)9-22-14-4-2-1-3-13(14)16(18,19)20/h1-4,7-8H,5-6,9H2/q-1
InChIKeyNXQJBQFBMCQVOX-UHFFFAOYSA-N
MW327.52 g/mol
LogP3.91
Rot. Bonds4

About [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide

[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide (PubChem CID 113403343) has the molecular formula C15H12BClF3O2- and a molecular weight of 327.52 g/mol. Its IUPAC name is [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide.

Molecular Properties

Compound Name[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide
PubChem CID113403343
Molecular FormulaC15H12BClF3O2-
Molecular Weight327.52 g/mol
Exact Mass327.06
IUPAC Name[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide
SMILESF[B-](F)(F)c1ccccc1OCc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H12BClF3O2/c17-12-7-10-5-6-21-15(10)11(8-12)9-22-14-4-2-1-3-13(14)16(18,19)20/h1-4,7-8H,5-6,9H2/q-1
InChIKeyNXQJBQFBMCQVOX-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-2,3-dihydro-1-benzofuran
CID 592964
5-(4-chlorophenoxy)benzo[c][1,2]oxaborol-1(3H)-ol
CID 44591600
6-chloro-3-phenyl-2H-chromene
CID 500461
B-(4-((3-Chlorophenyl)methoxy)-3,5-dimethylphenyl)boronic acid
CID 16217695
7-Benzofuranmethanol, 5-chloro-2,3-dihydro-
CID 75480545
5-Chloro-2-methyl-2,3-dihydro-1-benzofuran
CID 597779
5-Chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran
CID 19845302
1-(5-Chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104543104
5-Chloro-2,2-difluoro-3-methylidene-1-benzofuran
CID 134954839
5-Chloro-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran
CID 154714445
(5-Chloro-2,3-dihydro-1-benzofuran-3-yl)methanol
CID 10012624
1-(Benzyloxy)-4-chloro-2-methylbenzene
CID 18735225

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide?
The IUPAC name of [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide (CID 113403343) is [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide.
What is the SMILES notation for [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide?
The canonical SMILES for [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide is F[B-](F)(F)c1ccccc1OCc1cc(Cl)cc2c1OCC2.
What is the InChIKey of [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide?
The InChIKey is NXQJBQFBMCQVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BClF3O2/c17-12-7-10-5-6-21-15(10)11(8-12)9-22-14-4-2-1-3-13(14)16(18,19)20/h1-4,7-8H,5-6,9H2/q-1.
What are the key properties of [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide?
[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide has a molecular weight of 327.52 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide is sourced from PubChem (CID 113403343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).