1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone

C9H11F2NO2S — CID 103150093

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(CCOCC(F)F)s1
InChIInChI=1S/C9H11F2NO2S/c1-6(13)7-4-12-9(15-7)2-3-14-5-8(10)11/h4,8H,2-3,5H2,1H3
InChIKeyKJWVRWXKASTYTN-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.17
Rot. Bonds6

About 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone

1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 103150093) has the molecular formula C9H11F2NO2S and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
PubChem CID103150093
Molecular FormulaC9H11F2NO2S
Molecular Weight235.25 g/mol
Exact Mass235.05
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(CCOCC(F)F)s1
InChIInChI=1S/C9H11F2NO2S/c1-6(13)7-4-12-9(15-7)2-3-14-5-8(10)11/h4,8H,2-3,5H2,1H3
InChIKeyKJWVRWXKASTYTN-UHFFFAOYSA-N
XLogP2.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-one
CID 20815186
Ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
CID 155978068
1-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroethan-1-one
CID 165972733
2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
2-(4,4,4-Trifluoro-2-oxobutyl)-1,3-thiazole-5-carbaldehyde
CID 58378435
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanone
CID 58629012
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 62652804
2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 69192063
1-[2-(Fluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 69675720
1-(2-(Trifluoromethyl)thiazol-5-yl)ethanone
CID 72214632
2,2-Difluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 87864891
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782432

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone (CID 103150093) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(CCOCC(F)F)s1.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is KJWVRWXKASTYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2S/c1-6(13)7-4-12-9(15-7)2-3-14-5-8(10)11/h4,8H,2-3,5H2,1H3.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 235.25 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 103150093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).