4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole

C9H8FINO- — CID 176929490

IUPAC4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole
SMILESC[I-]c1cc(F)c2nc(C)oc2c1
InChIInChI=1S/C9H8FINO/c1-5-12-9-7(10)3-6(11-2)4-8(9)13-5/h3-4H,1-2H3/q-1
InChIKeyKAHOKZFUPISLRI-UHFFFAOYSA-N
MW292.07 g/mol
LogP-0.84
Rot. Bonds1

About 4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole

4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole (PubChem CID 176929490) has the molecular formula C9H8FINO- and a molecular weight of 292.07 g/mol. Its IUPAC name is 4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole
PubChem CID176929490
Molecular FormulaC9H8FINO-
Molecular Weight292.07 g/mol
Exact Mass291.96
IUPAC Name4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole
SMILESC[I-]c1cc(F)c2nc(C)oc2c1
InChIInChI=1S/C9H8FINO/c1-5-12-9-7(10)3-6(11-2)4-8(9)13-5/h3-4H,1-2H3/q-1
InChIKeyKAHOKZFUPISLRI-UHFFFAOYSA-N
XLogP-0.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole?
The IUPAC name of 4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole (CID 176929490) is 4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole.
What is the SMILES notation for 4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole?
The canonical SMILES for 4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole is C[I-]c1cc(F)c2nc(C)oc2c1.
What is the InChIKey of 4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole?
The InChIKey is KAHOKZFUPISLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FINO/c1-5-12-9-7(10)3-6(11-2)4-8(9)13-5/h3-4H,1-2H3/q-1.
What are the key properties of 4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole?
4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole has a molecular weight of 292.07 g/mol, XLogP of -0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-6-methyliodanuidyl-1,3-benzoxazole is sourced from PubChem (CID 176929490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).