trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide

C11H15BF3O2- — CID 104648207

IUPACtrifluoro-[4-(4-methoxybutoxy)phenyl]boranuide
SMILESCOCCCCOc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C11H15BF3O2/c1-16-8-2-3-9-17-11-6-4-10(5-7-11)12(13,14)15/h4-7H,2-3,8-9H2,1H3/q-1
InChIKeyBCJQSKYUUNPRFD-UHFFFAOYSA-N
MW247.04 g/mol
LogP2.55
Rot. Bonds7

About trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide

trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide (PubChem CID 104648207) has the molecular formula C11H15BF3O2- and a molecular weight of 247.04 g/mol. Its IUPAC name is trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-(4-methoxybutoxy)phenyl]boranuide
PubChem CID104648207
Molecular FormulaC11H15BF3O2-
Molecular Weight247.04 g/mol
Exact Mass247.11
IUPAC Nametrifluoro-[4-(4-methoxybutoxy)phenyl]boranuide
SMILESCOCCCCOc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C11H15BF3O2/c1-16-8-2-3-9-17-11-6-4-10(5-7-11)12(13,14)15/h4-7H,2-3,8-9H2,1H3/q-1
InChIKeyBCJQSKYUUNPRFD-UHFFFAOYSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 52.55
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'}

Analyze trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677653
potassium trifluoro-(4-hexoxyphenyl)boranuide
CID 63677675
[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678055
trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
CID 63677658
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
potassium [4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678054
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
1-isocyano-4-(6-methoxyhexoxy)benzene
CID 59524872
trifluoro-[4-(4-methoxybutoxy)-3-methylphenyl]boranuide
CID 104648209
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide
CID 103180900

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide (CID 104648207) is trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide is COCCCCOc1ccc([B-](F)(F)F)cc1.
What is the InChIKey of trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide?
The InChIKey is BCJQSKYUUNPRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BF3O2/c1-16-8-2-3-9-17-11-6-4-10(5-7-11)12(13,14)15/h4-7H,2-3,8-9H2,1H3/q-1.
What are the key properties of trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide?
trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide has a molecular weight of 247.04 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide is sourced from PubChem (CID 104648207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).