trifluoro-[(E)-3-phenylprop-2-enyl]boranuide

C9H9BF3- — CID 101487088

IUPACtrifluoro-[(E)-3-phenylprop-2-enyl]boranuide
SMILESF[B-](F)(F)C/C=C/c1ccccc1
InChIInChI=1S/C9H9BF3/c11-10(12,13)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/q-1/b7-4+
InChIKeyBKRKLYJAIRLJIR-QPJJXVBHSA-N
MW184.98 g/mol
LogP3.55
Rot. Bonds3

About trifluoro-[(E)-3-phenylprop-2-enyl]boranuide

trifluoro-[(E)-3-phenylprop-2-enyl]boranuide (PubChem CID 101487088) has the molecular formula C9H9BF3- and a molecular weight of 184.98 g/mol. Its IUPAC name is trifluoro-[(E)-3-phenylprop-2-enyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(E)-3-phenylprop-2-enyl]boranuide
PubChem CID101487088
Molecular FormulaC9H9BF3-
Molecular Weight184.98 g/mol
Exact Mass185.08
IUPAC Nametrifluoro-[(E)-3-phenylprop-2-enyl]boranuide
SMILESF[B-](F)(F)C/C=C/c1ccccc1
InChIInChI=1S/C9H9BF3/c11-10(12,13)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/q-1/b7-4+
InChIKeyBKRKLYJAIRLJIR-QPJJXVBHSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.98
LogP ≤ 53.55
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

[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
CID 140512150
CID 140512150
benzene;but-1-enylbenzene
CID 157481332
[(E)-3-[[(E)-3-phenylprop-2-enyl]diselanyl]prop-1-enyl]benzene
CID 132528237
potassium trifluoro-[(Z)-2-phenylethenyl]boranuide
CID 23671305
[(E)-3-chloroprop-1-enyl]benzene;hydron
CID 174539817
(E)-3-phenylprop-2-ene-1-sulfonyl fluoride
CID 87208395
trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide
CID 77016973
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
CID 70567885
CID 70567885
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(E)-3-phenylprop-2-enyl]boranuide?
The IUPAC name of trifluoro-[(E)-3-phenylprop-2-enyl]boranuide (CID 101487088) is trifluoro-[(E)-3-phenylprop-2-enyl]boranuide.
What is the SMILES notation for trifluoro-[(E)-3-phenylprop-2-enyl]boranuide?
The canonical SMILES for trifluoro-[(E)-3-phenylprop-2-enyl]boranuide is F[B-](F)(F)C/C=C/c1ccccc1.
What is the InChIKey of trifluoro-[(E)-3-phenylprop-2-enyl]boranuide?
The InChIKey is BKRKLYJAIRLJIR-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H9BF3/c11-10(12,13)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/q-1/b7-4+.
What are the key properties of trifluoro-[(E)-3-phenylprop-2-enyl]boranuide?
trifluoro-[(E)-3-phenylprop-2-enyl]boranuide has a molecular weight of 184.98 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(E)-3-phenylprop-2-enyl]boranuide is sourced from PubChem (CID 101487088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).