trifluoro-[2-(4-methylphenyl)ethenyl]boranuide

C9H9BF3- — CID 71433838

IUPACtrifluoro-[2-(4-methylphenyl)ethenyl]boranuide
SMILESCc1ccc(C=C[B-](F)(F)F)cc1
InChIInChI=1S/C9H9BF3/c1-8-2-4-9(5-3-8)6-7-10(11,12)13/h2-7H,1H3/q-1
InChIKeyQOKWSYCLMHJPFW-UHFFFAOYSA-N
MW184.98 g/mol
LogP3.39
Rot. Bonds2

About trifluoro-[2-(4-methylphenyl)ethenyl]boranuide

trifluoro-[2-(4-methylphenyl)ethenyl]boranuide (PubChem CID 71433838) has the molecular formula C9H9BF3- and a molecular weight of 184.98 g/mol. Its IUPAC name is trifluoro-[2-(4-methylphenyl)ethenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-(4-methylphenyl)ethenyl]boranuide
PubChem CID71433838
Molecular FormulaC9H9BF3-
Molecular Weight184.98 g/mol
Exact Mass185.08
IUPAC Nametrifluoro-[2-(4-methylphenyl)ethenyl]boranuide
SMILESCc1ccc(C=C[B-](F)(F)F)cc1
InChIInChI=1S/C9H9BF3/c1-8-2-4-9(5-3-8)6-7-10(11,12)13/h2-7H,1H3/q-1
InChIKeyQOKWSYCLMHJPFW-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.98
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 89173063
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
CID 102059663
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
dichloro-[(E)-2-(4-methylphenyl)ethenyl]borane
CID 134890605
4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]aniline
CID 89165666
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol
CID 87425519
S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine
CID 143261626

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-(4-methylphenyl)ethenyl]boranuide?
The IUPAC name of trifluoro-[2-(4-methylphenyl)ethenyl]boranuide (CID 71433838) is trifluoro-[2-(4-methylphenyl)ethenyl]boranuide.
What is the SMILES notation for trifluoro-[2-(4-methylphenyl)ethenyl]boranuide?
The canonical SMILES for trifluoro-[2-(4-methylphenyl)ethenyl]boranuide is Cc1ccc(C=C[B-](F)(F)F)cc1.
What is the InChIKey of trifluoro-[2-(4-methylphenyl)ethenyl]boranuide?
The InChIKey is QOKWSYCLMHJPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BF3/c1-8-2-4-9(5-3-8)6-7-10(11,12)13/h2-7H,1H3/q-1.
What are the key properties of trifluoro-[2-(4-methylphenyl)ethenyl]boranuide?
trifluoro-[2-(4-methylphenyl)ethenyl]boranuide has a molecular weight of 184.98 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-(4-methylphenyl)ethenyl]boranuide is sourced from PubChem (CID 71433838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).