1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone

C8H7F3O2S — CID 43799443

IUPAC1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1cccs1
InChIInChI=1S/C8H7F3O2S/c9-8(10,11)5-13-4-6(12)7-2-1-3-14-7/h1-3H,4-5H2
InChIKeyCRLAZSOVMQMQMP-UHFFFAOYSA-N
MW224.20 g/mol
LogP2.51
Rot. Bonds4

About 1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone

1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 43799443) has the molecular formula C8H7F3O2S and a molecular weight of 224.20 g/mol. Its IUPAC name is 1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID43799443
Molecular FormulaC8H7F3O2S
Molecular Weight224.20 g/mol
Exact Mass224.01
IUPAC Name1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1cccs1
InChIInChI=1S/C8H7F3O2S/c9-8(10,11)5-13-4-6(12)7-2-1-3-14-7/h1-3H,4-5H2
InChIKeyCRLAZSOVMQMQMP-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone (CID 43799443) is 1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is CRLAZSOVMQMQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2S/c9-8(10,11)5-13-4-6(12)7-2-1-3-14-7/h1-3H,4-5H2.
What are the key properties of 1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone?
1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 224.20 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 43799443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).