ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate

C10H18F2O4 — CID 66452206

IUPACethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate
SMILESCCCCOCCOC(F)(F)C(=O)OCC
InChIInChI=1S/C10H18F2O4/c1-3-5-6-14-7-8-16-10(11,12)9(13)15-4-2/h3-8H2,1-2H3
InChIKeyAOHQXDROHWORSA-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.98
Rot. Bonds9

About ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate

ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate (PubChem CID 66452206) has the molecular formula C10H18F2O4 and a molecular weight of 240.25 g/mol. Its IUPAC name is ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate
PubChem CID66452206
Molecular FormulaC10H18F2O4
Molecular Weight240.25 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate
SMILESCCCCOCCOC(F)(F)C(=O)OCC
InChIInChI=1S/C10H18F2O4/c1-3-5-6-14-7-8-16-10(11,12)9(13)15-4-2/h3-8H2,1-2H3
InChIKeyAOHQXDROHWORSA-UHFFFAOYSA-N
XLogP1.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate
CID 138693454
ethyl 2,2-difluoro-2-heptoxyacetate
CID 66452205
ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate
CID 66455007
2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 526892
ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate
CID 88881294
diethyl 2-(2-butoxyethyl)-2-propylpropanedioate
CID 103972819
ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
CID 13141611
2-(2-butoxyethoxy)-1,1,2,2-tetrafluoroethanol
CID 18995460
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877
5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one
CID 157126215
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613
2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428147

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate (CID 66452206) is ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate is CCCCOCCOC(F)(F)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate?
The InChIKey is AOHQXDROHWORSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O4/c1-3-5-6-14-7-8-16-10(11,12)9(13)15-4-2/h3-8H2,1-2H3.
What are the key properties of ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate?
ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate has a molecular weight of 240.25 g/mol, XLogP of 1.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate is sourced from PubChem (CID 66452206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).