ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate

C11H17FO4S — CID 107775815

IUPACethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate
SMILESCCOC(=O)C(F)SCC1(CC(=O)OC)CC1
InChIInChI=1S/C11H17FO4S/c1-3-16-10(14)9(12)17-7-11(4-5-11)6-8(13)15-2/h9H,3-7H2,1-2H3
InChIKeyMRPPWFNPRIEGDO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.92
Rot. Bonds7

About ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate

ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate (PubChem CID 107775815) has the molecular formula C11H17FO4S and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate
PubChem CID107775815
Molecular FormulaC11H17FO4S
Molecular Weight264.32 g/mol
Exact Mass264.08
IUPAC Nameethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate
SMILESCCOC(=O)C(F)SCC1(CC(=O)OC)CC1
InChIInChI=1S/C11H17FO4S/c1-3-16-10(14)9(12)17-7-11(4-5-11)6-8(13)15-2/h9H,3-7H2,1-2H3
InChIKeyMRPPWFNPRIEGDO-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate with MolForge

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Related Compounds

Methyl 1-((acetylthio)methyl)cyclopropaneacetate
CID 53482060
2-[1-[2-(2,2,2-Trifluoroethoxy)ethylsulfanylmethyl]cyclopropyl]acetic acid
CID 65443085
2-[1-[3-(2,2,2-Trifluoroethoxy)propylsulfanylmethyl]cyclopropyl]acetic acid
CID 65443086
2-Fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetic acid
CID 107775791
2,2-Difluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetic acid
CID 107775861
Methyl 2-[1-(2,2,2-trifluoroethylsulfanylmethyl)cyclopropyl]acetate
CID 107775932
Methyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate
CID 107775952
Methyl 2-[1-(3,3,3-trifluoropropylsulfanylmethyl)cyclopropyl]acetate
CID 107775958
Methyl 2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetate
CID 107775989
Methyl 2-[1-[2-(trifluoromethylsulfanyl)ethylsulfanylmethyl]cyclopropyl]acetate
CID 107776054
Methyl 2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetate
CID 107776063
Methyl 2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetate
CID 107776103

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate (CID 107775815) is ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate is CCOC(=O)C(F)SCC1(CC(=O)OC)CC1.
What is the InChIKey of ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate?
The InChIKey is MRPPWFNPRIEGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO4S/c1-3-16-10(14)9(12)17-7-11(4-5-11)6-8(13)15-2/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate?
ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]acetate is sourced from PubChem (CID 107775815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).