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

C9H5BF4NO2- — CID 63705188

IUPACtrifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
SMILESO=C1C(=O)N(C[B-](F)(F)F)c2ccc(F)cc21
InChIInChI=1S/C9H5BF4NO2/c11-5-1-2-7-6(3-5)8(16)9(17)15(7)4-10(12,13)14/h1-3H,4H2/q-1
InChIKeyMIUQBIJOIWOELR-UHFFFAOYSA-N
MW245.95 g/mol
LogP1.74
Rot. Bonds2

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

trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide (PubChem CID 63705188) has the molecular formula C9H5BF4NO2- and a molecular weight of 245.95 g/mol. Its IUPAC name is trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
PubChem CID63705188
Molecular FormulaC9H5BF4NO2-
Molecular Weight245.95 g/mol
Exact Mass246.04
IUPAC Nametrifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
SMILESO=C1C(=O)N(C[B-](F)(F)F)c2ccc(F)cc21
InChIInChI=1S/C9H5BF4NO2/c11-5-1-2-7-6(3-5)8(16)9(17)15(7)4-10(12,13)14/h1-3H,4H2/q-1
InChIKeyMIUQBIJOIWOELR-UHFFFAOYSA-N
XLogP1.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.95
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

potassium trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705187
5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
CID 14624170
trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63702848
5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione
CID 115579387
5-fluoro-1-heptylindole-2,3-dione
CID 43129613
5-fluoro-1-(3-methyl-2-oxobutyl)indole-2,3-dione
CID 79395662
1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 114850024
5-fluoro-1-[2-(2-oxo-1-pyridinyl)ethyl]indole-2,3-dione
CID 78917281
1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 28549088
5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione
CID 112640986
(E)-4-(5-fluoro-2,3-dioxoindol-1-yl)-3-methylbut-2-enoic acid
CID 55234980
5-fluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione
CID 63774759

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide (CID 63705188) is trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide is O=C1C(=O)N(C[B-](F)(F)F)c2ccc(F)cc21.
What is the InChIKey of trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide?
The InChIKey is MIUQBIJOIWOELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BF4NO2/c11-5-1-2-7-6(3-5)8(16)9(17)15(7)4-10(12,13)14/h1-3H,4H2/q-1.
What are the key properties of trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide?
trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide has a molecular weight of 245.95 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide is sourced from PubChem (CID 63705188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).