2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide

C10H6F3IN2O2 — CID 86607604

IUPAC2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2c(NC(=O)C(F)(F)F)noc2c1I
InChIInChI=1S/C10H6F3IN2O2/c1-4-2-3-5-7(6(4)14)18-16-8(5)15-9(17)10(11,12)13/h2-3H,1H3,(H,15,16,17)
InChIKeyPMZWNAVWKPBFJL-UHFFFAOYSA-N
MW370.07 g/mol
LogP3.24
Rot. Bonds1

About 2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide

2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 86607604) has the molecular formula C10H6F3IN2O2 and a molecular weight of 370.07 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID86607604
Molecular FormulaC10H6F3IN2O2
Molecular Weight370.07 g/mol
Exact Mass369.94
IUPAC Name2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2c(NC(=O)C(F)(F)F)noc2c1I
InChIInChI=1S/C10H6F3IN2O2/c1-4-2-3-5-7(6(4)14)18-16-8(5)15-9(17)10(11,12)13/h2-3H,1H3,(H,15,16,17)
InChIKeyPMZWNAVWKPBFJL-UHFFFAOYSA-N
XLogP3.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.07
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide (CID 86607604) is 2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide is Cc1ccc2c(NC(=O)C(F)(F)F)noc2c1I.
What is the InChIKey of 2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is PMZWNAVWKPBFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3IN2O2/c1-4-2-3-5-7(6(4)14)18-16-8(5)15-9(17)10(11,12)13/h2-3H,1H3,(H,15,16,17).
What are the key properties of 2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide?
2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 370.07 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(7-iodo-6-methyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 86607604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).