2-ethoxy-1-iodo-4-(trifluoromethyl)benzene

C9H8F3IO — CID 164892007

IUPAC2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
SMILESCCOc1cc(C(F)(F)F)ccc1I
InChIInChI=1S/C9H8F3IO/c1-2-14-8-5-6(9(10,11)12)3-4-7(8)13/h3-5H,2H2,1H3
InChIKeyVJJYVQJGOGXEOJ-UHFFFAOYSA-N
MW316.06 g/mol
LogP3.71
Rot. Bonds2

About 2-ethoxy-1-iodo-4-(trifluoromethyl)benzene

2-ethoxy-1-iodo-4-(trifluoromethyl)benzene (PubChem CID 164892007) has the molecular formula C9H8F3IO and a molecular weight of 316.06 g/mol. Its IUPAC name is 2-ethoxy-1-iodo-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
PubChem CID164892007
Molecular FormulaC9H8F3IO
Molecular Weight316.06 g/mol
Exact Mass315.96
IUPAC Name2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
SMILESCCOc1cc(C(F)(F)F)ccc1I
InChIInChI=1S/C9H8F3IO/c1-2-14-8-5-6(9(10,11)12)3-4-7(8)13/h3-5H,2H2,1H3
InChIKeyVJJYVQJGOGXEOJ-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.06
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hept-4-enoxy-1-iodo-4-(trifluoromethyl)benzene
CID 76747631
2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol
CID 67244628
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
carbon dioxide;2-[(E)-hept-4-enoxy]-1-iodo-4-(trifluoromethyl)benzene
CID 157263816
2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164892008
2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380765
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
1-chloro-1-[2-ethoxy-4-(trifluoromethyl)phenyl]propan-2-one
CID 166640934
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 82262869
2-bromo-3-butan-2-yloxy-2-(3-ethoxy-4-iodophenyl)-3-oxopropanoic acid
CID 70574654
4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene
CID 143778642

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-iodo-4-(trifluoromethyl)benzene?
The IUPAC name of 2-ethoxy-1-iodo-4-(trifluoromethyl)benzene (CID 164892007) is 2-ethoxy-1-iodo-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethoxy-1-iodo-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethoxy-1-iodo-4-(trifluoromethyl)benzene is CCOc1cc(C(F)(F)F)ccc1I.
What is the InChIKey of 2-ethoxy-1-iodo-4-(trifluoromethyl)benzene?
The InChIKey is VJJYVQJGOGXEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3IO/c1-2-14-8-5-6(9(10,11)12)3-4-7(8)13/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxy-1-iodo-4-(trifluoromethyl)benzene?
2-ethoxy-1-iodo-4-(trifluoromethyl)benzene has a molecular weight of 316.06 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-iodo-4-(trifluoromethyl)benzene is sourced from PubChem (CID 164892007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).