methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate

C10H16F2O5 — CID 118261281

IUPACmethyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate
SMILESCOC(=O)CCC(COC(C)(F)F)OC(C)=O
InChIInChI=1S/C10H16F2O5/c1-7(13)17-8(4-5-9(14)15-3)6-16-10(2,11)12/h8H,4-6H2,1-3H3
InChIKeyDYIZOTVDURZYAE-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.50
Rot. Bonds7

About methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate

methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate (PubChem CID 118261281) has the molecular formula C10H16F2O5 and a molecular weight of 254.23 g/mol. Its IUPAC name is methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate.

Molecular Properties

Compound Namemethyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate
PubChem CID118261281
Molecular FormulaC10H16F2O5
Molecular Weight254.23 g/mol
Exact Mass254.10
IUPAC Namemethyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate
SMILESCOC(=O)CCC(COC(C)(F)F)OC(C)=O
InChIInChI=1S/C10H16F2O5/c1-7(13)17-8(4-5-9(14)15-3)6-16-10(2,11)12/h8H,4-6H2,1-3H3
InChIKeyDYIZOTVDURZYAE-UHFFFAOYSA-N
XLogP1.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate?
The IUPAC name of methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate (CID 118261281) is methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate.
What is the SMILES notation for methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate?
The canonical SMILES for methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate is COC(=O)CCC(COC(C)(F)F)OC(C)=O.
What is the InChIKey of methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate?
The InChIKey is DYIZOTVDURZYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O5/c1-7(13)17-8(4-5-9(14)15-3)6-16-10(2,11)12/h8H,4-6H2,1-3H3.
What are the key properties of methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate?
methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate has a molecular weight of 254.23 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetyloxy-5-(1,1-difluoroethoxy)pentanoate is sourced from PubChem (CID 118261281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).