ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate

C11H15F2NO3 — CID 129262637

IUPACethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate
SMILESCCOC(=O)C(F)(F)CCc1coc(CC)n1
InChIInChI=1S/C11H15F2NO3/c1-3-9-14-8(7-17-9)5-6-11(12,13)10(15)16-4-2/h7H,3-6H2,1-2H3
InChIKeyPFQKSQRPOXZNHM-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.37
Rot. Bonds6

About ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate

ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate (PubChem CID 129262637) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate.

Molecular Properties

Compound Nameethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate
PubChem CID129262637
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Nameethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate
SMILESCCOC(=O)C(F)(F)CCc1coc(CC)n1
InChIInChI=1S/C11H15F2NO3/c1-3-9-14-8(7-17-9)5-6-11(12,13)10(15)16-4-2/h7H,3-6H2,1-2H3
InChIKeyPFQKSQRPOXZNHM-UHFFFAOYSA-N
XLogP2.37
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate?
The IUPAC name of ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate (CID 129262637) is ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate.
What is the SMILES notation for ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate?
The canonical SMILES for ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate is CCOC(=O)C(F)(F)CCc1coc(CC)n1.
What is the InChIKey of ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate?
The InChIKey is PFQKSQRPOXZNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c1-3-9-14-8(7-17-9)5-6-11(12,13)10(15)16-4-2/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate?
ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate has a molecular weight of 247.24 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethyl-1,3-oxazol-4-yl)-2,2-difluorobutanoate is sourced from PubChem (CID 129262637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).