ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate

C10H17FO4S — CID 124573270

IUPACethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)[C@@H](F)SCC(=O)OC(C)(C)C
InChIInChI=1S/C10H17FO4S/c1-5-14-9(13)8(11)16-6-7(12)15-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyFOVXEGQNMQZSBO-QMMMGPOBSA-N
MW252.31 g/mol
LogP1.92
Rot. Bonds5

About ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate

ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate (PubChem CID 124573270) has the molecular formula C10H17FO4S and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate
PubChem CID124573270
Molecular FormulaC10H17FO4S
Molecular Weight252.31 g/mol
Exact Mass252.08
IUPAC Nameethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)[C@@H](F)SCC(=O)OC(C)(C)C
InChIInChI=1S/C10H17FO4S/c1-5-14-9(13)8(11)16-6-7(12)15-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyFOVXEGQNMQZSBO-QMMMGPOBSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(tert-butylsulfanyl)acetate
CID 4961815
O-ethyl S-(tert-butoxycarbonyl)methyl dithiocarbonate
CID 10857462
Tert-butyl 2-tert-butylsulfanylacetate
CID 11148405
2-Methylpropyl 2-(4-fluorobutylsulfanyl)propanoate
CID 87339869
Propan-2-yl 2-(4-fluorobutylsulfanyl)propanoate
CID 87339903
Butyl 2-(3-fluoropropylsulfanyl)acetate
CID 87340177
Propan-2-yl 2-(3-fluoropropylsulfanyl)propanoate
CID 87340944
Propyl 2-(4-fluorobutylsulfanyl)propanoate
CID 87341162
Propyl 2-(3-fluoropropylsulfanyl)propanoate
CID 87341490
Tert-butyl 2-(4-fluoropentylsulfanyl)propanoate
CID 87341516
Ethyl 2-(4-fluorobutylsulfanyl)propanoate
CID 87341622
Tert-butyl 2-(4-fluorobutylsulfanyl)propanoate
CID 87341709

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate?
The IUPAC name of ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate (CID 124573270) is ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate?
The canonical SMILES for ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate is CCOC(=O)[C@@H](F)SCC(=O)OC(C)(C)C.
What is the InChIKey of ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate?
The InChIKey is FOVXEGQNMQZSBO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17FO4S/c1-5-14-9(13)8(11)16-6-7(12)15-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate?
ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate has a molecular weight of 252.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 124573270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).