ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate

C10H18F2O5 — CID 138693454

IUPACethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate
SMILESCCOC(=O)C(F)(F)OCCOCCCCO
InChIInChI=1S/C10H18F2O5/c1-2-16-9(14)10(11,12)17-8-7-15-6-4-3-5-13/h13H,2-8H2,1H3
InChIKeyRWIRMFFAUXRUDT-UHFFFAOYSA-N
MW256.24 g/mol
LogP0.95
Rot. Bonds10

About ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate

ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate (PubChem CID 138693454) has the molecular formula C10H18F2O5 and a molecular weight of 256.24 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate
PubChem CID138693454
Molecular FormulaC10H18F2O5
Molecular Weight256.24 g/mol
Exact Mass256.11
IUPAC Nameethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate
SMILESCCOC(=O)C(F)(F)OCCOCCCCO
InChIInChI=1S/C10H18F2O5/c1-2-16-9(14)10(11,12)17-8-7-15-6-4-3-5-13/h13H,2-8H2,1H3
InChIKeyRWIRMFFAUXRUDT-UHFFFAOYSA-N
XLogP0.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate
CID 66452206
ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate
CID 66455007
ethyl 2,2-difluoro-2-heptoxyacetate
CID 66452205
ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate
CID 88881294
ethyl 2,2-difluoro-12-hydroxydodecanoate
CID 15076440
4-(2-ethoxyethoxy)butan-1-ol
CID 15885586
ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
CID 13141611
ethyl 6-hydroxy-2,2-dimethylhexanoate
CID 57424988
2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428153
2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428147
diethyl 2-(4-hydroxybutyl)-2-propan-2-ylpropanedioate
CID 103972941
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate?
The IUPAC name of ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate (CID 138693454) is ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate is CCOC(=O)C(F)(F)OCCOCCCCO.
What is the InChIKey of ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate?
The InChIKey is RWIRMFFAUXRUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O5/c1-2-16-9(14)10(11,12)17-8-7-15-6-4-3-5-13/h13H,2-8H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate?
ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate has a molecular weight of 256.24 g/mol, XLogP of 0.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate is sourced from PubChem (CID 138693454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).