2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol

C5H4BrF2NOS — CID 107140348

IUPAC2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol
SMILESOC(c1nccs1)C(F)(F)Br
InChIInChI=1S/C5H4BrF2NOS/c6-5(7,8)3(10)4-9-1-2-11-4/h1-3,10H
InChIKeyVMIXXZQUOLJKSA-UHFFFAOYSA-N
MW244.06 g/mol
LogP2.16
Rot. Bonds2

About 2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol

2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 107140348) has the molecular formula C5H4BrF2NOS and a molecular weight of 244.06 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol
PubChem CID107140348
Molecular FormulaC5H4BrF2NOS
Molecular Weight244.06 g/mol
Exact Mass242.92
IUPAC Name2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol
SMILESOC(c1nccs1)C(F)(F)Br
InChIInChI=1S/C5H4BrF2NOS/c6-5(7,8)3(10)4-9-1-2-11-4/h1-3,10H
InChIKeyVMIXXZQUOLJKSA-UHFFFAOYSA-N
XLogP2.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol (CID 107140348) is 2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol is OC(c1nccs1)C(F)(F)Br.
What is the InChIKey of 2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is VMIXXZQUOLJKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF2NOS/c6-5(7,8)3(10)4-9-1-2-11-4/h1-3,10H.
What are the key properties of 2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol?
2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 244.06 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 107140348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).