trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide

C10H8BF3NO3- — CID 63702848

IUPACtrifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2C[B-](F)(F)F
InChIInChI=1S/C10H8BF3NO3/c1-18-6-2-3-8-7(4-6)9(16)10(17)15(8)5-11(12,13)14/h2-4H,5H2,1H3/q-1
InChIKeyUFUIPGCJOADHPM-UHFFFAOYSA-N
MW257.98 g/mol
LogP1.61
Rot. Bonds3

About trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide

trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide (PubChem CID 63702848) has the molecular formula C10H8BF3NO3- and a molecular weight of 257.98 g/mol. Its IUPAC name is trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide
PubChem CID63702848
Molecular FormulaC10H8BF3NO3-
Molecular Weight257.98 g/mol
Exact Mass258.06
IUPAC Nametrifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2C[B-](F)(F)F
InChIInChI=1S/C10H8BF3NO3/c1-18-6-2-3-8-7(4-6)9(16)10(17)15(8)5-11(12,13)14/h2-4H,5H2,1H3/q-1
InChIKeyUFUIPGCJOADHPM-UHFFFAOYSA-N
XLogP1.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.98
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705188
1-(2-ethylsulfonylethyl)-5-methoxyindole-2,3-dione
CID 61355618
1-but-2-ynyl-5-methoxyindole-2,3-dione
CID 55057460
potassium trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705187
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808
1-(3,3-dimethyl-2-oxobutyl)-5-methoxyindole-2,3-dione
CID 62023855
5-methoxy-1-(3-methylsulfonylpropyl)indole-2,3-dione
CID 63191796
5-methoxy-1-(2-phenylethyl)indole-2,3-dione
CID 61355458
4-(5-methoxy-2,3-dioxoindol-1-yl)butanenitrile
CID 61356270
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
CID 61354804
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyindole-2,3-dione
CID 79765636

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide (CID 63702848) is trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide is COc1ccc2c(c1)C(=O)C(=O)N2C[B-](F)(F)F.
What is the InChIKey of trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide?
The InChIKey is UFUIPGCJOADHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BF3NO3/c1-18-6-2-3-8-7(4-6)9(16)10(17)15(8)5-11(12,13)14/h2-4H,5H2,1H3/q-1.
What are the key properties of trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide?
trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide has a molecular weight of 257.98 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide is sourced from PubChem (CID 63702848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).