2-fluoroethyl 2-sulfanylpropanoate

C5H9FO2S — CID 154185031

IUPAC2-fluoroethyl 2-sulfanylpropanoate
SMILESCC(S)C(=O)OCCF
InChIInChI=1S/C5H9FO2S/c1-4(9)5(7)8-3-2-6/h4,9H,2-3H2,1H3
InChIKeyOSKXPWHLZYNYMG-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.82
Rot. Bonds3

About 2-fluoroethyl 2-sulfanylpropanoate

2-fluoroethyl 2-sulfanylpropanoate (PubChem CID 154185031) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-fluoroethyl 2-sulfanylpropanoate.

Molecular Properties

Compound Name2-fluoroethyl 2-sulfanylpropanoate
PubChem CID154185031
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name2-fluoroethyl 2-sulfanylpropanoate
SMILESCC(S)C(=O)OCCF
InChIInChI=1S/C5H9FO2S/c1-4(9)5(7)8-3-2-6/h4,9H,2-3H2,1H3
InChIKeyOSKXPWHLZYNYMG-UHFFFAOYSA-N
XLogP0.82
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxypropyl 2-sulfanylpropanoate
CID 107018238
sodium;hydride;2-(2-sulfanylpropanoyloxy)ethanesulfonic acid
CID 173051395
3-(2-sulfanylpropanoyloxy)propane-1-sulfonic acid
CID 57246058
2-(3-methoxypropoxy)ethyl 2-sulfanylpropanoate
CID 107019121
bis(2-fluoroethyl) 2-ethylbutanedioate
CID 20768695
2-fluoroethyl 2,3,3,3-tetrafluoropropanoate
CID 134247673
cyclopropylmethyl 2-sulfanylpropanoate
CID 107018198
1-methoxypropan-2-yl 2-sulfanylpropanoate
CID 91488591
2-fluoroethyl carbonochloridate
CID 10017
3-aminopropyl 2-methylpropanoate
CID 59078098
2-ethoxypropyl 2-sulfanylpropanoate
CID 91229316
2-aminoethyl 2,3-diaminobutanoate
CID 123886394

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-sulfanylpropanoate?
The IUPAC name of 2-fluoroethyl 2-sulfanylpropanoate (CID 154185031) is 2-fluoroethyl 2-sulfanylpropanoate.
What is the SMILES notation for 2-fluoroethyl 2-sulfanylpropanoate?
The canonical SMILES for 2-fluoroethyl 2-sulfanylpropanoate is CC(S)C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 2-sulfanylpropanoate?
The InChIKey is OSKXPWHLZYNYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2S/c1-4(9)5(7)8-3-2-6/h4,9H,2-3H2,1H3.
What are the key properties of 2-fluoroethyl 2-sulfanylpropanoate?
2-fluoroethyl 2-sulfanylpropanoate has a molecular weight of 152.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-sulfanylpropanoate is sourced from PubChem (CID 154185031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).