trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide

C10H13BF3O3- — CID 104706273

IUPACtrifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide
SMILESCOCCOc1ccc(OC)cc1[B-](F)(F)F
InChIInChI=1S/C10H13BF3O3/c1-15-5-6-17-10-4-3-8(16-2)7-9(10)11(12,13)14/h3-4,7H,5-6H2,1-2H3/q-1
InChIKeyHHAMJOWVALQJGH-UHFFFAOYSA-N
MW249.02 g/mol
LogP1.77
Rot. Bonds6

About trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide

trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide (PubChem CID 104706273) has the molecular formula C10H13BF3O3- and a molecular weight of 249.02 g/mol. Its IUPAC name is trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide
PubChem CID104706273
Molecular FormulaC10H13BF3O3-
Molecular Weight249.02 g/mol
Exact Mass249.09
IUPAC Nametrifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide
SMILESCOCCOc1ccc(OC)cc1[B-](F)(F)F
InChIInChI=1S/C10H13BF3O3/c1-15-5-6-17-10-4-3-8(16-2)7-9(10)11(12,13)14/h3-4,7H,5-6H2,1-2H3/q-1
InChIKeyHHAMJOWVALQJGH-UHFFFAOYSA-N
XLogP1.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.02
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide
CID 104706284
[2-[3-(dimethylamino)propoxy]-5-methoxyphenyl]-trifluoroboranuide
CID 114525803
potassium trifluoro-[5-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 104706270
1,4-dimethoxy-2-(2-methoxyethoxy)benzene
CID 132577892
potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
CID 113443476
trifluoro-[5-fluoro-2-(4-methoxybutoxy)phenyl]boranuide
CID 104648215
potassium trifluoro-[5-methoxy-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]boranuide
CID 114279067
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575
trifluoro-[5-methoxy-2-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 104706185
potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135604
1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
CID 67337211
trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654

Frequently Asked Questions

What is the IUPAC name of trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide (CID 104706273) is trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide is COCCOc1ccc(OC)cc1[B-](F)(F)F.
What is the InChIKey of trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide?
The InChIKey is HHAMJOWVALQJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BF3O3/c1-15-5-6-17-10-4-3-8(16-2)7-9(10)11(12,13)14/h3-4,7H,5-6H2,1-2H3/q-1.
What are the key properties of trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide?
trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide has a molecular weight of 249.02 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide is sourced from PubChem (CID 104706273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).