trifluoro-[(4-methylindol-1-yl)methyl]boranuide

C10H10BF3N- — CID 63703617

IUPACtrifluoro-[(4-methylindol-1-yl)methyl]boranuide
SMILESCc1cccc2c1ccn2C[B-](F)(F)F
InChIInChI=1S/C10H10BF3N/c1-8-3-2-4-10-9(8)5-6-15(10)7-11(12,13)14/h2-6H,7H2,1H3/q-1
InChIKeyLKGFAFIYMQITTI-UHFFFAOYSA-N
MW212.00 g/mol
LogP3.34
Rot. Bonds2

About trifluoro-[(4-methylindol-1-yl)methyl]boranuide

trifluoro-[(4-methylindol-1-yl)methyl]boranuide (PubChem CID 63703617) has the molecular formula C10H10BF3N- and a molecular weight of 212.00 g/mol. Its IUPAC name is trifluoro-[(4-methylindol-1-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(4-methylindol-1-yl)methyl]boranuide
PubChem CID63703617
Molecular FormulaC10H10BF3N-
Molecular Weight212.00 g/mol
Exact Mass212.09
IUPAC Nametrifluoro-[(4-methylindol-1-yl)methyl]boranuide
SMILESCc1cccc2c1ccn2C[B-](F)(F)F
InChIInChI=1S/C10H10BF3N/c1-8-3-2-4-10-9(8)5-6-15(10)7-11(12,13)14/h2-6H,7H2,1H3/q-1
InChIKeyLKGFAFIYMQITTI-UHFFFAOYSA-N
XLogP3.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.00
LogP ≤ 53.34
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-[(4-methylindol-1-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(4-methylindol-1-yl)methyl]boranuide (CID 63703617) is trifluoro-[(4-methylindol-1-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(4-methylindol-1-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(4-methylindol-1-yl)methyl]boranuide is Cc1cccc2c1ccn2C[B-](F)(F)F.
What is the InChIKey of trifluoro-[(4-methylindol-1-yl)methyl]boranuide?
The InChIKey is LKGFAFIYMQITTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BF3N/c1-8-3-2-4-10-9(8)5-6-15(10)7-11(12,13)14/h2-6H,7H2,1H3/q-1.
What are the key properties of trifluoro-[(4-methylindol-1-yl)methyl]boranuide?
trifluoro-[(4-methylindol-1-yl)methyl]boranuide has a molecular weight of 212.00 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(4-methylindol-1-yl)methyl]boranuide is sourced from PubChem (CID 63703617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).