2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene

C10H10F3IO2 — CID 169066840

IUPAC2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene
SMILESCOCOc1cc(C(F)(F)F)cc(C)c1I
InChIInChI=1S/C10H10F3IO2/c1-6-3-7(10(11,12)13)4-8(9(6)14)16-5-15-2/h3-4H,5H2,1-2H3
InChIKeyIATAZTSCVTYKLJ-UHFFFAOYSA-N
MW346.09 g/mol
LogP3.60
Rot. Bonds3

About 2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene

2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene (PubChem CID 169066840) has the molecular formula C10H10F3IO2 and a molecular weight of 346.09 g/mol. Its IUPAC name is 2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene
PubChem CID169066840
Molecular FormulaC10H10F3IO2
Molecular Weight346.09 g/mol
Exact Mass345.97
IUPAC Name2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene
SMILESCOCOc1cc(C(F)(F)F)cc(C)c1I
InChIInChI=1S/C10H10F3IO2/c1-6-3-7(10(11,12)13)4-8(9(6)14)16-5-15-2/h3-4H,5H2,1-2H3
InChIKeyIATAZTSCVTYKLJ-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.09
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene?
The IUPAC name of 2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene (CID 169066840) is 2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene is COCOc1cc(C(F)(F)F)cc(C)c1I.
What is the InChIKey of 2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene?
The InChIKey is IATAZTSCVTYKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IO2/c1-6-3-7(10(11,12)13)4-8(9(6)14)16-5-15-2/h3-4H,5H2,1-2H3.
What are the key properties of 2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene?
2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene has a molecular weight of 346.09 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 169066840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).