5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene

C10H7F6IO2 — CID 171003077

IUPAC5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
SMILESCCOc1cc(I)c(C(F)(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C10H7F6IO2/c1-2-18-5-3-6(17)8(9(11,12)13)7(4-5)19-10(14,15)16/h3-4H,2H2,1H3
InChIKeyGHARCQVWLMGDBW-UHFFFAOYSA-N
MW400.06 g/mol
LogP4.61
Rot. Bonds3

About 5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene

5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene (PubChem CID 171003077) has the molecular formula C10H7F6IO2 and a molecular weight of 400.06 g/mol. Its IUPAC name is 5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
PubChem CID171003077
Molecular FormulaC10H7F6IO2
Molecular Weight400.06 g/mol
Exact Mass399.94
IUPAC Name5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
SMILESCCOc1cc(I)c(C(F)(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C10H7F6IO2/c1-2-18-5-3-6(17)8(9(11,12)13)7(4-5)19-10(14,15)16/h3-4H,2H2,1H3
InChIKeyGHARCQVWLMGDBW-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.06
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171003510
4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999648
1-ethoxy-4-iodo-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 171003964
4-ethoxy-2-iodo-6-(trifluoromethyl)phenol
CID 171002578
1-ethoxy-5-nitro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171003817
[5-ethoxy-2-(trifluoromethoxy)phenoxy]boronic acid
CID 142787488
2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170999024
2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetonitrile
CID 170997989
5-ethoxy-2-fluoro-1-iodo-3-methylbenzene
CID 131287027
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
1-(3-bromopropyl)-4-ethoxy-2-(trifluoromethoxy)benzene
CID 118824499
1-iodo-4-methoxy-2-(trifluoromethoxy)benzene
CID 53415973

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene (CID 171003077) is 5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene is CCOc1cc(I)c(C(F)(F)F)c(OC(F)(F)F)c1.
What is the InChIKey of 5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The InChIKey is GHARCQVWLMGDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6IO2/c1-2-18-5-3-6(17)8(9(11,12)13)7(4-5)19-10(14,15)16/h3-4H,2H2,1H3.
What are the key properties of 5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene has a molecular weight of 400.06 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 171003077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).