[3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol

C12H12F3IO3 — CID 100760660

IUPAC[3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol
SMILESOCC1(COc2c(I)cccc2C(F)(F)F)COC1
InChIInChI=1S/C12H12F3IO3/c13-12(14,15)8-2-1-3-9(16)10(8)19-7-11(4-17)5-18-6-11/h1-3,17H,4-7H2
InChIKeyIUYIKCGNSGAGCH-UHFFFAOYSA-N
MW388.12 g/mol
LogP2.70
Rot. Bonds4

About [3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol

[3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol (PubChem CID 100760660) has the molecular formula C12H12F3IO3 and a molecular weight of 388.12 g/mol. Its IUPAC name is [3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol
PubChem CID100760660
Molecular FormulaC12H12F3IO3
Molecular Weight388.12 g/mol
Exact Mass387.98
IUPAC Name[3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol
SMILESOCC1(COc2c(I)cccc2C(F)(F)F)COC1
InChIInChI=1S/C12H12F3IO3/c13-12(14,15)8-2-1-3-9(16)10(8)19-7-11(4-17)5-18-6-11/h1-3,17H,4-7H2
InChIKeyIUYIKCGNSGAGCH-UHFFFAOYSA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.12
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol (CID 100760660) is [3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol is OCC1(COc2c(I)cccc2C(F)(F)F)COC1.
What is the InChIKey of [3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol?
The InChIKey is IUYIKCGNSGAGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3IO3/c13-12(14,15)8-2-1-3-9(16)10(8)19-7-11(4-17)5-18-6-11/h1-3,17H,4-7H2.
What are the key properties of [3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol?
[3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol has a molecular weight of 388.12 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 100760660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).