1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone

C8H7ClF2O2S — CID 82005454

IUPAC1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone
SMILESO=C(COCC(F)F)c1ccc(Cl)s1
InChIInChI=1S/C8H7ClF2O2S/c9-7-2-1-6(14-7)5(12)3-13-4-8(10)11/h1-2,8H,3-4H2
InChIKeyUXJMWCNOVDTRGE-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.87
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone

1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone (PubChem CID 82005454) has the molecular formula C8H7ClF2O2S and a molecular weight of 240.66 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone
PubChem CID82005454
Molecular FormulaC8H7ClF2O2S
Molecular Weight240.66 g/mol
Exact Mass239.98
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone
SMILESO=C(COCC(F)F)c1ccc(Cl)s1
InChIInChI=1S/C8H7ClF2O2S/c9-7-2-1-6(14-7)5(12)3-13-4-8(10)11/h1-2,8H,3-4H2
InChIKeyUXJMWCNOVDTRGE-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-trifluoroacetylthiophene
CID 2757932
[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate
CID 2426078
Ethyl 2-(5-chlorothiophen-2-yl)-2,2-difluoroacetate
CID 71143034
Ethyl 3-(5-chlorothiophen-2-yl)-3,3-difluoro-2-oxopropanoate
CID 146201746
(E)-1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropent-2-en-1-one
CID 19555387
1-(5-Chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-one
CID 43161030
1-(5-Chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 43799428
1-Thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799443
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-(2,5-Dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799470
1-(5-Chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)propan-1-one
CID 43800942

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone (CID 82005454) is 1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone is O=C(COCC(F)F)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone?
The InChIKey is UXJMWCNOVDTRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O2S/c9-7-2-1-6(14-7)5(12)3-13-4-8(10)11/h1-2,8H,3-4H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone?
1-(5-chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone has a molecular weight of 240.66 g/mol, XLogP of 2.87, 5 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-difluoroethoxy)ethanone is sourced from PubChem (CID 82005454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).