trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide

C10H13BF3- — CID 63701991

IUPACtrifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide
SMILESCc1cc(C)c(C[B-](F)(F)F)c(C)c1
InChIInChI=1S/C10H13BF3/c1-7-4-8(2)10(9(3)5-7)6-11(12,13)14/h4-5H,6H2,1-3H3/q-1
InChIKeyGXWWJAAGHPBLCE-UHFFFAOYSA-N
MW201.02 g/mol
LogP3.54
Rot. Bonds2

About trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide

trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide (PubChem CID 63701991) has the molecular formula C10H13BF3- and a molecular weight of 201.02 g/mol. Its IUPAC name is trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide
PubChem CID63701991
Molecular FormulaC10H13BF3-
Molecular Weight201.02 g/mol
Exact Mass201.11
IUPAC Nametrifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide
SMILESCc1cc(C)c(C[B-](F)(F)F)c(C)c1
InChIInChI=1S/C10H13BF3/c1-7-4-8(2)10(9(3)5-7)6-11(12,13)14/h4-5H,6H2,1-3H3/q-1
InChIKeyGXWWJAAGHPBLCE-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide?
The IUPAC name of trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide (CID 63701991) is trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide?
The canonical SMILES for trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide is Cc1cc(C)c(C[B-](F)(F)F)c(C)c1.
What is the InChIKey of trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide?
The InChIKey is GXWWJAAGHPBLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BF3/c1-7-4-8(2)10(9(3)5-7)6-11(12,13)14/h4-5H,6H2,1-3H3/q-1.
What are the key properties of trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide?
trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide has a molecular weight of 201.02 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide is sourced from PubChem (CID 63701991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).