ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate

C9H11F2NO3 — CID 10489040

IUPACethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1c(C)noc1C
InChIInChI=1S/C9H11F2NO3/c1-4-14-8(13)9(10,11)7-5(2)12-15-6(7)3/h4H2,1-3H3
InChIKeyFUTVFCXNJYBAOV-UHFFFAOYSA-N
MW219.19 g/mol
LogP1.95
Rot. Bonds3

About ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate

ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate (PubChem CID 10489040) has the molecular formula C9H11F2NO3 and a molecular weight of 219.19 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate
PubChem CID10489040
Molecular FormulaC9H11F2NO3
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Nameethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1c(C)noc1C
InChIInChI=1S/C9H11F2NO3/c1-4-14-8(13)9(10,11)7-5(2)12-15-6(7)3/h4H2,1-3H3
InChIKeyFUTVFCXNJYBAOV-UHFFFAOYSA-N
XLogP1.95
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate (CID 10489040) is ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1c(C)noc1C.
What is the InChIKey of ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate?
The InChIKey is FUTVFCXNJYBAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3/c1-4-14-8(13)9(10,11)7-5(2)12-15-6(7)3/h4H2,1-3H3.
What are the key properties of ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate?
ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate has a molecular weight of 219.19 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-difluoroacetate is sourced from PubChem (CID 10489040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).