methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate

C9H14F2O3 — CID 103272829

IUPACmethyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(OCC(F)F)CCC1
InChIInChI=1S/C9H14F2O3/c1-13-8(12)5-9(3-2-4-9)14-6-7(10)11/h7H,2-6H2,1H3
InChIKeyJQTGOAYXBQKULH-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.75
Rot. Bonds5

About methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate

methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate (PubChem CID 103272829) has the molecular formula C9H14F2O3 and a molecular weight of 208.20 g/mol. Its IUPAC name is methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate
PubChem CID103272829
Molecular FormulaC9H14F2O3
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Namemethyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(OCC(F)F)CCC1
InChIInChI=1S/C9H14F2O3/c1-13-8(12)5-9(3-2-4-9)14-6-7(10)11/h7H,2-6H2,1H3
InChIKeyJQTGOAYXBQKULH-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate (CID 103272829) is methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate is COC(=O)CC1(OCC(F)F)CCC1.
What is the InChIKey of methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate?
The InChIKey is JQTGOAYXBQKULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O3/c1-13-8(12)5-9(3-2-4-9)14-6-7(10)11/h7H,2-6H2,1H3.
What are the key properties of methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate?
methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate has a molecular weight of 208.20 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,2-difluoroethoxy)cyclobutyl]acetate is sourced from PubChem (CID 103272829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).