trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide

C18H13BF3- — CID 142713850

IUPACtrifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide
SMILESF[B-](F)(F)c1ccc(/C=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C18H13BF3/c20-19(21,22)18-13-12-15(16-8-4-5-9-17(16)18)11-10-14-6-2-1-3-7-14/h1-13H/q-1/b11-10+
InChIKeyJAOSYHSNTKWTHD-ZHACJKMWSA-N
MW297.11 g/mol
LogP5.06
Rot. Bonds3

About trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide

trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide (PubChem CID 142713850) has the molecular formula C18H13BF3- and a molecular weight of 297.11 g/mol. Its IUPAC name is trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide
PubChem CID142713850
Molecular FormulaC18H13BF3-
Molecular Weight297.11 g/mol
Exact Mass297.11
IUPAC Nametrifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide
SMILESF[B-](F)(F)c1ccc(/C=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C18H13BF3/c20-19(21,22)18-13-12-15(16-8-4-5-9-17(16)18)11-10-14-6-2-1-3-7-14/h1-13H/q-1/b11-10+
InChIKeyJAOSYHSNTKWTHD-ZHACJKMWSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.11
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide?
The IUPAC name of trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide (CID 142713850) is trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide.
What is the SMILES notation for trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide?
The canonical SMILES for trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide is F[B-](F)(F)c1ccc(/C=C/c2ccccc2)c2ccccc12.
What is the InChIKey of trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide?
The InChIKey is JAOSYHSNTKWTHD-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H13BF3/c20-19(21,22)18-13-12-15(16-8-4-5-9-17(16)18)11-10-14-6-2-1-3-7-14/h1-13H/q-1/b11-10+.
What are the key properties of trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide?
trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide has a molecular weight of 297.11 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-[(E)-2-phenylethenyl]naphthalen-1-yl]boranuide is sourced from PubChem (CID 142713850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).