ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate

C9H10F2O2S — CID 79990890

IUPACethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate
SMILESCCOC(=O)C(F)(F)c1sccc1C
InChIInChI=1S/C9H10F2O2S/c1-3-13-8(12)9(10,11)7-6(2)4-5-14-7/h4-5H,3H2,1-2H3
InChIKeyZSRYAIHYRLKNGE-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.71
Rot. Bonds3

About ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate

ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate (PubChem CID 79990890) has the molecular formula C9H10F2O2S and a molecular weight of 220.24 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate
PubChem CID79990890
Molecular FormulaC9H10F2O2S
Molecular Weight220.24 g/mol
Exact Mass220.04
IUPAC Nameethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate
SMILESCCOC(=O)C(F)(F)c1sccc1C
InChIInChI=1S/C9H10F2O2S/c1-3-13-8(12)9(10,11)7-6(2)4-5-14-7/h4-5H,3H2,1-2H3
InChIKeyZSRYAIHYRLKNGE-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-thienylacetate
CID 93657
Methyl thiophen-2-acetate
CID 88055
Ethyl 3-thiopheneacetate
CID 520865
Ethyl 2,2-difluoro-2-(thiophen-2-yl)acetate
CID 10512456
Ethyl 2-(5-methylthiophen-3-yl)acetate
CID 64985223
Methyl 3-(thiophen-3-yl)propanoate
CID 9793962
2-(4-Methylthiophen-2-yl)acetic acid
CID 14076807
Ethyl 2-methyl-2-(thiophen-2-yl)propanoate
CID 21099804
2-(3-Methylthiophen-2-yl)propanoic acid
CID 63992884
2-Methyl-2-(5-methylthiophen-3-yl)propanoic acid
CID 65099372
Methyl 2-(5-formylthiophen-3-yl)acetate
CID 87202382
Ethyl 2-[4-(4-fluorophenyl)thiophen-3-yl]acetate
CID 101950797

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate (CID 79990890) is ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate is CCOC(=O)C(F)(F)c1sccc1C.
What is the InChIKey of ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate?
The InChIKey is ZSRYAIHYRLKNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2S/c1-3-13-8(12)9(10,11)7-6(2)4-5-14-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate?
ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate has a molecular weight of 220.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate is sourced from PubChem (CID 79990890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).