trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide

C9H11BF3O2- — CID 63677654

IUPACtrifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
SMILESCOCCOc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C9H11BF3O2/c1-14-6-7-15-9-4-2-8(3-5-9)10(11,12)13/h2-5H,6-7H2,1H3/q-1
InChIKeyTUGODGSYEKMUCK-UHFFFAOYSA-N
MW218.99 g/mol
LogP1.77
Rot. Bonds5

About trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide

trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide (PubChem CID 63677654) has the molecular formula C9H11BF3O2- and a molecular weight of 218.99 g/mol. Its IUPAC name is trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
PubChem CID63677654
Molecular FormulaC9H11BF3O2-
Molecular Weight218.99 g/mol
Exact Mass219.08
IUPAC Nametrifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
SMILESCOCCOc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C9H11BF3O2/c1-14-6-7-15-9-4-2-8(3-5-9)10(11,12)13/h2-5H,6-7H2,1H3/q-1
InChIKeyTUGODGSYEKMUCK-UHFFFAOYSA-N
XLogP1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.99
LogP ≤ 51.77
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'}

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Related Compounds

potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677653
trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide
CID 104648207
trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
CID 63677658
[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678055
potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678054
potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide
CID 106454185
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575
[4-(2-methoxyethoxy)phenyl]-methylidyneazanium
CID 177451533
1-(2-methoxyethoxy)-4-methylsulfanyloxybenzene
CID 59702789
4-(2-methoxyethoxy)benzenesulfonyl fluoride
CID 98661024
[4-(2-ethylbutoxy)phenyl]-trifluoroboranuide
CID 82929384

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide (CID 63677654) is trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide is COCCOc1ccc([B-](F)(F)F)cc1.
What is the InChIKey of trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide?
The InChIKey is TUGODGSYEKMUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BF3O2/c1-14-6-7-15-9-4-2-8(3-5-9)10(11,12)13/h2-5H,6-7H2,1H3/q-1.
What are the key properties of trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide?
trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide has a molecular weight of 218.99 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide is sourced from PubChem (CID 63677654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).