1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one

C9H8ClF3O2S — CID 43799428

IUPAC1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(OCC(F)(F)F)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H8ClF3O2S/c1-5(15-4-9(11,12)13)8(14)6-2-3-7(10)16-6/h2-3,5H,4H2,1H3
InChIKeyOUSVFAZOKWNFQC-UHFFFAOYSA-N
MW272.68 g/mol
LogP3.55
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 43799428) has the molecular formula C9H8ClF3O2S and a molecular weight of 272.68 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID43799428
Molecular FormulaC9H8ClF3O2S
Molecular Weight272.68 g/mol
Exact Mass271.99
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(OCC(F)(F)F)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H8ClF3O2S/c1-5(15-4-9(11,12)13)8(14)6-2-3-7(10)16-6/h2-3,5H,4H2,1H3
InChIKeyOUSVFAZOKWNFQC-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.68
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate
CID 2426078
Ethyl 3-(5-chlorothiophen-2-yl)-3,3-difluoro-2-oxopropanoate
CID 146201746
1-Thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799443
1-(5-Ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799450
1-(5-Methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799451
1-(5-Chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799467
1-(5-Chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)propan-1-one
CID 43800942
2-(2,2,3,3-Tetrafluoropropoxy)-1-thiophen-2-ylethanone
CID 43800957
1-(5-Ethylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 43800964
1-(5-Methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 43800965
1-(5-Chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 43800981
1-Thiophen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanone
CID 66274607

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one (CID 43799428) is 1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one is CC(OCC(F)(F)F)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is OUSVFAZOKWNFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O2S/c1-5(15-4-9(11,12)13)8(14)6-2-3-7(10)16-6/h2-3,5H,4H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 272.68 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 43799428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).