[2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate

C10H7F3N2O2S2 — CID 54444142

IUPAC[2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate
SMILESCC(=O)OC(c1nccs1)(c1nccs1)C(F)(F)F
InChIInChI=1S/C10H7F3N2O2S2/c1-6(16)17-9(10(11,12)13,7-14-2-4-18-7)8-15-3-5-19-8/h2-5H,1H3
InChIKeyWQHACQFYKHNWHE-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.97
Rot. Bonds3

About [2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate

[2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate (PubChem CID 54444142) has the molecular formula C10H7F3N2O2S2 and a molecular weight of 308.31 g/mol. Its IUPAC name is [2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate.

Molecular Properties

Compound Name[2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate
PubChem CID54444142
Molecular FormulaC10H7F3N2O2S2
Molecular Weight308.31 g/mol
Exact Mass307.99
IUPAC Name[2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate
SMILESCC(=O)OC(c1nccs1)(c1nccs1)C(F)(F)F
InChIInChI=1S/C10H7F3N2O2S2/c1-6(16)17-9(10(11,12)13,7-14-2-4-18-7)8-15-3-5-19-8/h2-5H,1H3
InChIKeyWQHACQFYKHNWHE-UHFFFAOYSA-N
XLogP2.97
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,1-Di(2-thiazolyl)-2,2,2-trifluoroethanol
CID 9860114
1,1-Di(2-thiazolyl)-2,2,2-trifluoroethyl Methyl Ether
CID 22106697
Bis(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 162317043
2-(1,3-Thiazol-2-yl)but-3-yn-2-yl 2,2,2-trifluoroacetate
CID 172552226
Tert-butyl 1,3-thiazole-2-carboxylate;1,3-thiazole
CID 118468665
Propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol
CID 157494212
2-(2-Methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone
CID 160500283
1,2-Bis(1,3-thiazol-2-yl)ethyl acetate
CID 174957810

Frequently Asked Questions

What is the IUPAC name of [2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate?
The IUPAC name of [2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate (CID 54444142) is [2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate.
What is the SMILES notation for [2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate?
The canonical SMILES for [2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate is CC(=O)OC(c1nccs1)(c1nccs1)C(F)(F)F.
What is the InChIKey of [2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate?
The InChIKey is WQHACQFYKHNWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S2/c1-6(16)17-9(10(11,12)13,7-14-2-4-18-7)8-15-3-5-19-8/h2-5H,1H3.
What are the key properties of [2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate?
[2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate has a molecular weight of 308.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate is sourced from PubChem (CID 54444142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).