ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate

C7H11FO3S — CID 79366241

IUPACethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate
SMILESCCOC(=O)C(F)SC1COC1
InChIInChI=1S/C7H11FO3S/c1-2-11-7(9)6(8)12-5-3-10-4-5/h5-6H,2-4H2,1H3
InChIKeyOKMGNDNFKHRBJC-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.98
Rot. Bonds4

About ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate

ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate (PubChem CID 79366241) has the molecular formula C7H11FO3S and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate
PubChem CID79366241
Molecular FormulaC7H11FO3S
Molecular Weight194.23 g/mol
Exact Mass194.04
IUPAC Nameethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate
SMILESCCOC(=O)C(F)SC1COC1
InChIInChI=1S/C7H11FO3S/c1-2-11-7(9)6(8)12-5-3-10-4-5/h5-6H,2-4H2,1H3
InChIKeyOKMGNDNFKHRBJC-UHFFFAOYSA-N
XLogP0.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(oxetan-3-ylsulfanyl)propanoate
CID 79325692
ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate
CID 79326682
ethyl 2-methyl-2-(methylamino)-4-(oxetan-3-ylsulfanyl)pentanoate
CID 79326786
ethyl 4-(oxetan-3-ylsulfanyl)-2-(propan-2-ylamino)butanoate
CID 79326117
diethyl 2-[(3R,4S)-4-hydroxyoxolan-3-yl]propanedioate
CID 139791909
ethyl 2-fluoro-2-pentylsulfanylacetate
CID 107746160
ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
CID 79367296
diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl (E)-4-(oxetan-3-ylsulfanyl)but-2-enoate
CID 80546112
ethyl 2-(oxetan-3-yloxy)pentanoate
CID 102605335
ethyl 2-cyclopropyl-2-fluoroacetate
CID 171409758
ethyl 2-fluoro-2-(3-hydroxybutan-2-ylsulfanyl)acetate
CID 107770116

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate (CID 79366241) is ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate is CCOC(=O)C(F)SC1COC1.
What is the InChIKey of ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate?
The InChIKey is OKMGNDNFKHRBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3S/c1-2-11-7(9)6(8)12-5-3-10-4-5/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate?
ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate has a molecular weight of 194.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate is sourced from PubChem (CID 79366241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).