1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C11H12F4O2S — CID 43800964

IUPAC1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESCCc1ccc(C(=O)COCC(F)(F)C(F)F)s1
InChIInChI=1S/C11H12F4O2S/c1-2-7-3-4-9(18-7)8(16)5-17-6-11(14,15)10(12)13/h3-4,10H,2,5-6H2,1H3
InChIKeyIUFZLBYRBIDDRP-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.41
Rot. Bonds7

About 1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 43800964) has the molecular formula C11H12F4O2S and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID43800964
Molecular FormulaC11H12F4O2S
Molecular Weight284.27 g/mol
Exact Mass284.05
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESCCc1ccc(C(=O)COCC(F)(F)C(F)F)s1
InChIInChI=1S/C11H12F4O2S/c1-2-7-3-4-9(18-7)8(16)5-17-6-11(14,15)10(12)13/h3-4,10H,2,5-6H2,1H3
InChIKeyIUFZLBYRBIDDRP-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-thiopheneglyoxylate
CID 77693
Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate
CID 2799459
5-Acetyl-2-thiopheneacetic acid ethyl ester
CID 12356985
Ethyl (5-methylthiophen-2-yl)(oxo)acetate
CID 13534763
2-Thenoylmethyl acetate
CID 13795100
4,4,5,5,6,6,6-Heptafluoro-1-(5-methylthiophen-2-yl)hexane-1,3-dione
CID 255130
Methyl 4-[5-(5,5,6,6,6-pentafluorohexanoyl)thiophen-2-yl]butanoate
CID 17782511
Methyl 4-[5-(6,6,7,7,7-pentafluoroheptanoyl)thiophen-2-yl]butanoate
CID 17782537
Methyl 4-[5-(4,4,5,5,6,6,7,7,7-nonafluoroheptanoyl)thiophen-2-yl]butanoate
CID 17782545
Methyl 4-[5-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexanoyl]thiophen-2-yl]butanoate
CID 17782552
Methyl 5-[5-(5,5,6,6,6-pentafluorohexanoyl)thiophen-2-yl]pentanoate
CID 17782555
Methyl 4-[5-(5,5,6,6,7,7,7-heptafluoroheptanoyl)thiophen-2-yl]butanoate
CID 17782567

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 43800964) is 1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is CCc1ccc(C(=O)COCC(F)(F)C(F)F)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is IUFZLBYRBIDDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O2S/c1-2-7-3-4-9(18-7)8(16)5-17-6-11(14,15)10(12)13/h3-4,10H,2,5-6H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 284.27 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 43800964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).