[3-(difluoromethoxy)thiophen-2-yl] propanoate

C8H8F2O3S — CID 174986615

IUPAC[3-(difluoromethoxy)thiophen-2-yl] propanoate
SMILESCCC(=O)Oc1sccc1OC(F)F
InChIInChI=1S/C8H8F2O3S/c1-2-6(11)13-7-5(3-4-14-7)12-8(9)10/h3-4,8H,2H2,1H3
InChIKeyJZAYGXYJLJZOID-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.66
Rot. Bonds4

About [3-(difluoromethoxy)thiophen-2-yl] propanoate

[3-(difluoromethoxy)thiophen-2-yl] propanoate (PubChem CID 174986615) has the molecular formula C8H8F2O3S and a molecular weight of 222.21 g/mol. Its IUPAC name is [3-(difluoromethoxy)thiophen-2-yl] propanoate.

Molecular Properties

Compound Name[3-(difluoromethoxy)thiophen-2-yl] propanoate
PubChem CID174986615
Molecular FormulaC8H8F2O3S
Molecular Weight222.21 g/mol
Exact Mass222.02
IUPAC Name[3-(difluoromethoxy)thiophen-2-yl] propanoate
SMILESCCC(=O)Oc1sccc1OC(F)F
InChIInChI=1S/C8H8F2O3S/c1-2-6(11)13-7-5(3-4-14-7)12-8(9)10/h3-4,8H,2H2,1H3
InChIKeyJZAYGXYJLJZOID-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)thiophen-2-yl] propanoate?
The IUPAC name of [3-(difluoromethoxy)thiophen-2-yl] propanoate (CID 174986615) is [3-(difluoromethoxy)thiophen-2-yl] propanoate.
What is the SMILES notation for [3-(difluoromethoxy)thiophen-2-yl] propanoate?
The canonical SMILES for [3-(difluoromethoxy)thiophen-2-yl] propanoate is CCC(=O)Oc1sccc1OC(F)F.
What is the InChIKey of [3-(difluoromethoxy)thiophen-2-yl] propanoate?
The InChIKey is JZAYGXYJLJZOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O3S/c1-2-6(11)13-7-5(3-4-14-7)12-8(9)10/h3-4,8H,2H2,1H3.
What are the key properties of [3-(difluoromethoxy)thiophen-2-yl] propanoate?
[3-(difluoromethoxy)thiophen-2-yl] propanoate has a molecular weight of 222.21 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)thiophen-2-yl] propanoate is sourced from PubChem (CID 174986615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).