trifluoro-[(2-phenylindol-1-yl)methyl]boranuide

C15H12BF3N- — CID 63702309

IUPACtrifluoro-[(2-phenylindol-1-yl)methyl]boranuide
SMILESF[B-](F)(F)Cn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C15H12BF3N/c17-16(18,19)11-20-14-9-5-4-8-13(14)10-15(20)12-6-2-1-3-7-12/h1-10H,11H2/q-1
InChIKeyDXIQERPWOKDCSN-UHFFFAOYSA-N
MW274.07 g/mol
LogP4.69
Rot. Bonds3

About trifluoro-[(2-phenylindol-1-yl)methyl]boranuide

trifluoro-[(2-phenylindol-1-yl)methyl]boranuide (PubChem CID 63702309) has the molecular formula C15H12BF3N- and a molecular weight of 274.07 g/mol. Its IUPAC name is trifluoro-[(2-phenylindol-1-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(2-phenylindol-1-yl)methyl]boranuide
PubChem CID63702309
Molecular FormulaC15H12BF3N-
Molecular Weight274.07 g/mol
Exact Mass274.10
IUPAC Nametrifluoro-[(2-phenylindol-1-yl)methyl]boranuide
SMILESF[B-](F)(F)Cn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C15H12BF3N/c17-16(18,19)11-20-14-9-5-4-8-13(14)10-15(20)12-6-2-1-3-7-12/h1-10H,11H2/q-1
InChIKeyDXIQERPWOKDCSN-UHFFFAOYSA-N
XLogP4.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-phenylindol-1-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(2-phenylindol-1-yl)methyl]boranuide (CID 63702309) is trifluoro-[(2-phenylindol-1-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(2-phenylindol-1-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(2-phenylindol-1-yl)methyl]boranuide is F[B-](F)(F)Cn1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of trifluoro-[(2-phenylindol-1-yl)methyl]boranuide?
The InChIKey is DXIQERPWOKDCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BF3N/c17-16(18,19)11-20-14-9-5-4-8-13(14)10-15(20)12-6-2-1-3-7-12/h1-10H,11H2/q-1.
What are the key properties of trifluoro-[(2-phenylindol-1-yl)methyl]boranuide?
trifluoro-[(2-phenylindol-1-yl)methyl]boranuide has a molecular weight of 274.07 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(2-phenylindol-1-yl)methyl]boranuide is sourced from PubChem (CID 63702309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).