[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide

C12H17BF3O2- — CID 63678055

IUPAC[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
SMILESCCCCOCCOc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C12H17BF3O2/c1-2-3-8-17-9-10-18-12-6-4-11(5-7-12)13(14,15)16/h4-7H,2-3,8-10H2,1H3/q-1
InChIKeyUFCYLTOXZWVHIP-UHFFFAOYSA-N
MW261.07 g/mol
LogP2.94
Rot. Bonds8

About [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide

[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide (PubChem CID 63678055) has the molecular formula C12H17BF3O2- and a molecular weight of 261.07 g/mol. Its IUPAC name is [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide.

Molecular Properties

Compound Name[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
PubChem CID63678055
Molecular FormulaC12H17BF3O2-
Molecular Weight261.07 g/mol
Exact Mass261.13
IUPAC Name[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
SMILESCCCCOCCOc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C12H17BF3O2/c1-2-3-8-17-9-10-18-12-6-4-11(5-7-12)13(14,15)16/h4-7H,2-3,8-10H2,1H3/q-1
InChIKeyUFCYLTOXZWVHIP-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 52.94
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 [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678054
potassium trifluoro-(4-hexoxyphenyl)boranuide
CID 63677675
[3-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63675848
trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677653
trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide
CID 104648207
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide
CID 106454185
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
CID 63677658

Frequently Asked Questions

What is the IUPAC name of [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide?
The IUPAC name of [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide (CID 63678055) is [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide.
What is the SMILES notation for [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide?
The canonical SMILES for [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide is CCCCOCCOc1ccc([B-](F)(F)F)cc1.
What is the InChIKey of [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide?
The InChIKey is UFCYLTOXZWVHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BF3O2/c1-2-3-8-17-9-10-18-12-6-4-11(5-7-12)13(14,15)16/h4-7H,2-3,8-10H2,1H3/q-1.
What are the key properties of [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide?
[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide has a molecular weight of 261.07 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide is sourced from PubChem (CID 63678055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).