3-ethoxy-4-iodo-5-(trifluoromethyl)phenol

C9H8F3IO2 — CID 171002962

IUPAC3-ethoxy-4-iodo-5-(trifluoromethyl)phenol
SMILESCCOc1cc(O)cc(C(F)(F)F)c1I
InChIInChI=1S/C9H8F3IO2/c1-2-15-7-4-5(14)3-6(8(7)13)9(10,11)12/h3-4,14H,2H2,1H3
InChIKeyGIGXVOOXCOZTFN-UHFFFAOYSA-N
MW332.06 g/mol
LogP3.41
Rot. Bonds2

About 3-ethoxy-4-iodo-5-(trifluoromethyl)phenol

3-ethoxy-4-iodo-5-(trifluoromethyl)phenol (PubChem CID 171002962) has the molecular formula C9H8F3IO2 and a molecular weight of 332.06 g/mol. Its IUPAC name is 3-ethoxy-4-iodo-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-ethoxy-4-iodo-5-(trifluoromethyl)phenol
PubChem CID171002962
Molecular FormulaC9H8F3IO2
Molecular Weight332.06 g/mol
Exact Mass331.95
IUPAC Name3-ethoxy-4-iodo-5-(trifluoromethyl)phenol
SMILESCCOc1cc(O)cc(C(F)(F)F)c1I
InChIInChI=1S/C9H8F3IO2/c1-2-15-7-4-5(14)3-6(8(7)13)9(10,11)12/h3-4,14H,2H2,1H3
InChIKeyGIGXVOOXCOZTFN-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.06
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-iodo-5-(trifluoromethyl)phenol?
The IUPAC name of 3-ethoxy-4-iodo-5-(trifluoromethyl)phenol (CID 171002962) is 3-ethoxy-4-iodo-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-ethoxy-4-iodo-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-ethoxy-4-iodo-5-(trifluoromethyl)phenol is CCOc1cc(O)cc(C(F)(F)F)c1I.
What is the InChIKey of 3-ethoxy-4-iodo-5-(trifluoromethyl)phenol?
The InChIKey is GIGXVOOXCOZTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3IO2/c1-2-15-7-4-5(14)3-6(8(7)13)9(10,11)12/h3-4,14H,2H2,1H3.
What are the key properties of 3-ethoxy-4-iodo-5-(trifluoromethyl)phenol?
3-ethoxy-4-iodo-5-(trifluoromethyl)phenol has a molecular weight of 332.06 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-iodo-5-(trifluoromethyl)phenol is sourced from PubChem (CID 171002962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).