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

C14H13BF3O2- — CID 63677658

IUPACtrifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C14H13BF3O2/c16-15(17,18)12-6-8-14(9-7-12)20-11-10-19-13-4-2-1-3-5-13/h1-9H,10-11H2/q-1
InChIKeyXBKQBDSWPUUOQA-UHFFFAOYSA-N
MW281.06 g/mol
LogP3.20
Rot. Bonds6

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

trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide (PubChem CID 63677658) has the molecular formula C14H13BF3O2- and a molecular weight of 281.06 g/mol. Its IUPAC name is trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
PubChem CID63677658
Molecular FormulaC14H13BF3O2-
Molecular Weight281.06 g/mol
Exact Mass281.10
IUPAC Nametrifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C14H13BF3O2/c16-15(17,18)12-6-8-14(9-7-12)20-11-10-19-13-4-2-1-3-5-13/h1-9H,10-11H2/q-1
InChIKeyXBKQBDSWPUUOQA-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.06
LogP ≤ 53.20
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

trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677653
trifluoro-[4-(phenoxymethyl)phenyl]boranuide
CID 140775679
trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide
CID 104648207
[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678055
potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678054
2-phenoxyethylmercury
CID 163598363
potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide
CID 106454185
potassium trifluoro-(4-hexoxyphenyl)boranuide
CID 63677675
potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide
CID 77016979
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide (CID 63677658) is trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide is F[B-](F)(F)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide?
The InChIKey is XBKQBDSWPUUOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BF3O2/c16-15(17,18)12-6-8-14(9-7-12)20-11-10-19-13-4-2-1-3-5-13/h1-9H,10-11H2/q-1.
What are the key properties of trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide?
trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide has a molecular weight of 281.06 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide is sourced from PubChem (CID 63677658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).