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

C11H18F2O5 — CID 174150818

IUPACmethyl 4-acetyloxy-5-(1,1-difluoropropoxy)pentanoate
SMILESCCC(F)(F)OCC(CCC(=O)OC)OC(C)=O
InChIInChI=1S/C11H18F2O5/c1-4-11(12,13)17-7-9(18-8(2)14)5-6-10(15)16-3/h9H,4-7H2,1-3H3
InChIKeyLGGIUFFJZCBIDS-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.89
Rot. Bonds8

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

methyl 4-acetyloxy-5-(1,1-difluoropropoxy)pentanoate (PubChem CID 174150818) has the molecular formula C11H18F2O5 and a molecular weight of 268.26 g/mol. Its IUPAC name is methyl 4-acetyloxy-5-(1,1-difluoropropoxy)pentanoate.

Molecular Properties

Compound Namemethyl 4-acetyloxy-5-(1,1-difluoropropoxy)pentanoate
PubChem CID174150818
Molecular FormulaC11H18F2O5
Molecular Weight268.26 g/mol
Exact Mass268.11
IUPAC Namemethyl 4-acetyloxy-5-(1,1-difluoropropoxy)pentanoate
SMILESCCC(F)(F)OCC(CCC(=O)OC)OC(C)=O
InChIInChI=1S/C11H18F2O5/c1-4-11(12,13)17-7-9(18-8(2)14)5-6-10(15)16-3/h9H,4-7H2,1-3H3
InChIKeyLGGIUFFJZCBIDS-UHFFFAOYSA-N
XLogP1.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.89
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-difluoropropoxy)pentanoate?
The IUPAC name of methyl 4-acetyloxy-5-(1,1-difluoropropoxy)pentanoate (CID 174150818) is methyl 4-acetyloxy-5-(1,1-difluoropropoxy)pentanoate.
What is the SMILES notation for methyl 4-acetyloxy-5-(1,1-difluoropropoxy)pentanoate?
The canonical SMILES for methyl 4-acetyloxy-5-(1,1-difluoropropoxy)pentanoate is CCC(F)(F)OCC(CCC(=O)OC)OC(C)=O.
What is the InChIKey of methyl 4-acetyloxy-5-(1,1-difluoropropoxy)pentanoate?
The InChIKey is LGGIUFFJZCBIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O5/c1-4-11(12,13)17-7-9(18-8(2)14)5-6-10(15)16-3/h9H,4-7H2,1-3H3.
What are the key properties of methyl 4-acetyloxy-5-(1,1-difluoropropoxy)pentanoate?
methyl 4-acetyloxy-5-(1,1-difluoropropoxy)pentanoate has a molecular weight of 268.26 g/mol, XLogP of 1.89, 8 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-difluoropropoxy)pentanoate is sourced from PubChem (CID 174150818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).