2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol

C5H3F3INOS — CID 170202793

IUPAC2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol
SMILESOC(I)(c1nccs1)C(F)(F)F
InChIInChI=1S/C5H3F3INOS/c6-5(7,8)4(9,11)3-10-1-2-12-3/h1-2,11H
InChIKeyMDCCSQSEYQTWPE-UHFFFAOYSA-N
MW309.05 g/mol
LogP2.29
Rot. Bonds1

About 2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol

2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 170202793) has the molecular formula C5H3F3INOS and a molecular weight of 309.05 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol
PubChem CID170202793
Molecular FormulaC5H3F3INOS
Molecular Weight309.05 g/mol
Exact Mass308.89
IUPAC Name2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol
SMILESOC(I)(c1nccs1)C(F)(F)F
InChIInChI=1S/C5H3F3INOS/c6-5(7,8)4(9,11)3-10-1-2-12-3/h1-2,11H
InChIKeyMDCCSQSEYQTWPE-UHFFFAOYSA-N
XLogP2.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.05
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol (CID 170202793) is 2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol is OC(I)(c1nccs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is MDCCSQSEYQTWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3INOS/c6-5(7,8)4(9,11)3-10-1-2-12-3/h1-2,11H.
What are the key properties of 2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol?
2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 309.05 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-iodo-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 170202793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).