ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate

C14H25F2NO3 — CID 145341479

IUPACethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate
SMILESCC.CC.CCOC(=O)C(F)(F)CCc1coc(C)n1
InChIInChI=1S/C10H13F2NO3.2C2H6/c1-3-15-9(14)10(11,12)5-4-8-6-16-7(2)13-8;2*1-2/h6H,3-5H2,1-2H3;2*1-2H3
InChIKeyQKQYKERFIDVFPB-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.17
Rot. Bonds5

About ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate

ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate (PubChem CID 145341479) has the molecular formula C14H25F2NO3 and a molecular weight of 293.35 g/mol. Its IUPAC name is ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate.

Molecular Properties

Compound Nameethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate
PubChem CID145341479
Molecular FormulaC14H25F2NO3
Molecular Weight293.35 g/mol
Exact Mass293.18
IUPAC Nameethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate
SMILESCC.CC.CCOC(=O)C(F)(F)CCc1coc(C)n1
InChIInChI=1S/C10H13F2NO3.2C2H6/c1-3-15-9(14)10(11,12)5-4-8-6-16-7(2)13-8;2*1-2/h6H,3-5H2,1-2H3;2*1-2H3
InChIKeyQKQYKERFIDVFPB-UHFFFAOYSA-N
XLogP4.17
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate?
The IUPAC name of ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate (CID 145341479) is ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate.
What is the SMILES notation for ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate?
The canonical SMILES for ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate is CC.CC.CCOC(=O)C(F)(F)CCc1coc(C)n1.
What is the InChIKey of ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate?
The InChIKey is QKQYKERFIDVFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3.2C2H6/c1-3-15-9(14)10(11,12)5-4-8-6-16-7(2)13-8;2*1-2/h6H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate?
ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate has a molecular weight of 293.35 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate is sourced from PubChem (CID 145341479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).