4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene

C10H10F3IO — CID 143778642

IUPAC4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene
SMILESCCc1ccc(I)c(OCC(F)(F)F)c1
InChIInChI=1S/C10H10F3IO/c1-2-7-3-4-8(14)9(5-7)15-6-10(11,12)13/h3-5H,2,6H2,1H3
InChIKeyXLJGLZPABOTACQ-UHFFFAOYSA-N
MW330.09 g/mol
LogP3.79
Rot. Bonds3

About 4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene

4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene (PubChem CID 143778642) has the molecular formula C10H10F3IO and a molecular weight of 330.09 g/mol. Its IUPAC name is 4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene
PubChem CID143778642
Molecular FormulaC10H10F3IO
Molecular Weight330.09 g/mol
Exact Mass329.97
IUPAC Name4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene
SMILESCCc1ccc(I)c(OCC(F)(F)F)c1
InChIInChI=1S/C10H10F3IO/c1-2-7-3-4-8(14)9(5-7)15-6-10(11,12)13/h3-5H,2,6H2,1H3
InChIKeyXLJGLZPABOTACQ-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene (CID 143778642) is 4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene is CCc1ccc(I)c(OCC(F)(F)F)c1.
What is the InChIKey of 4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is XLJGLZPABOTACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IO/c1-2-7-3-4-8(14)9(5-7)15-6-10(11,12)13/h3-5H,2,6H2,1H3.
What are the key properties of 4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene?
4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 330.09 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 143778642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).