4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol

C11H10F3IO2 — CID 70190351

IUPAC4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol
SMILESOC(=CCI)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3IO2/c12-11(13,14)8-2-1-3-10(6-8)17-7-9(16)4-5-15/h1-4,6,16H,5,7H2
InChIKeyQWALHGPOMQVCAX-UHFFFAOYSA-N
MW358.10 g/mol
LogP3.96
Rot. Bonds4

About 4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol

4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol (PubChem CID 70190351) has the molecular formula C11H10F3IO2 and a molecular weight of 358.10 g/mol. Its IUPAC name is 4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol.

Molecular Properties

Compound Name4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol
PubChem CID70190351
Molecular FormulaC11H10F3IO2
Molecular Weight358.10 g/mol
Exact Mass357.97
IUPAC Name4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol
SMILESOC(=CCI)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3IO2/c12-11(13,14)8-2-1-3-10(6-8)17-7-9(16)4-5-15/h1-4,6,16H,5,7H2
InChIKeyQWALHGPOMQVCAX-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.10
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-bromo-3-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 87404421
2-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine
CID 66982486
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 1471533
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol?
The IUPAC name of 4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol (CID 70190351) is 4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol.
What is the SMILES notation for 4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol?
The canonical SMILES for 4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol is OC(=CCI)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol?
The InChIKey is QWALHGPOMQVCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3IO2/c12-11(13,14)8-2-1-3-10(6-8)17-7-9(16)4-5-15/h1-4,6,16H,5,7H2.
What are the key properties of 4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol?
4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol has a molecular weight of 358.10 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-[3-(trifluoromethyl)phenoxy]but-2-en-2-ol is sourced from PubChem (CID 70190351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).