[2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide

C10H13BF3O2- — CID 65369939

IUPAC[2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
SMILESCCOCOc1ccc(C)cc1[B-](F)(F)F
InChIInChI=1S/C10H13BF3O2/c1-3-15-7-16-10-5-4-8(2)6-9(10)11(12,13)14/h4-6H,3,7H2,1-2H3/q-1
InChIKeyGXZFIHGJXPLWIP-UHFFFAOYSA-N
MW233.02 g/mol
LogP2.42
Rot. Bonds5

About [2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide

[2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide (PubChem CID 65369939) has the molecular formula C10H13BF3O2- and a molecular weight of 233.02 g/mol. Its IUPAC name is [2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide.

Molecular Properties

Compound Name[2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
PubChem CID65369939
Molecular FormulaC10H13BF3O2-
Molecular Weight233.02 g/mol
Exact Mass233.10
IUPAC Name[2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
SMILESCCOCOc1ccc(C)cc1[B-](F)(F)F
InChIInChI=1S/C10H13BF3O2/c1-3-15-7-16-10-5-4-8(2)6-9(10)11(12,13)14/h4-6H,3,7H2,1-2H3/q-1
InChIKeyGXZFIHGJXPLWIP-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
CID 106929979
[2-[(E)-3-chloroprop-2-enoxy]-5-methylphenyl]-trifluoroboranuide
CID 107900795
potassium trifluoro-[5-methyl-2-(3-methylbutoxy)phenyl]boranuide
CID 63676021
2-(ethoxymethoxy)-4-methylaniline
CID 65365090
(2-butan-2-yloxy-5-methylphenyl)-trifluoroboranuide
CID 63678318
potassium trifluoro-[5-methyl-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 115514502
potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide
CID 63678321
potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 79263387
potassium [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-methylphenyl]-trifluoroboranuide
CID 106439032
trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
CID 63676214
potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide
CID 63676225
N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 65369408

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide?
The IUPAC name of [2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide (CID 65369939) is [2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide.
What is the SMILES notation for [2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide?
The canonical SMILES for [2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide is CCOCOc1ccc(C)cc1[B-](F)(F)F.
What is the InChIKey of [2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide?
The InChIKey is GXZFIHGJXPLWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BF3O2/c1-3-15-7-16-10-5-4-8(2)6-9(10)11(12,13)14/h4-6H,3,7H2,1-2H3/q-1.
What are the key properties of [2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide?
[2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide has a molecular weight of 233.02 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide is sourced from PubChem (CID 65369939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).