2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate

C10H17F3O5 — CID 20781994

IUPAC2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate
SMILESCCOCCOCCOC(=O)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H17F3O5/c1-2-16-3-4-17-5-6-18-9(15)7-8(14)10(11,12)13/h8,14H,2-7H2,1H3/t8-/m1/s1
InChIKeyZCYFXINXGRIRTF-MRVPVSSYSA-N
MW274.23 g/mol
LogP0.90
Rot. Bonds9

About 2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate

2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate (PubChem CID 20781994) has the molecular formula C10H17F3O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate
PubChem CID20781994
Molecular FormulaC10H17F3O5
Molecular Weight274.23 g/mol
Exact Mass274.10
IUPAC Name2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate
SMILESCCOCCOCCOC(=O)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H17F3O5/c1-2-16-3-4-17-5-6-18-9(15)7-8(14)10(11,12)13/h8,14H,2-7H2,1H3/t8-/m1/s1
InChIKeyZCYFXINXGRIRTF-MRVPVSSYSA-N
XLogP0.90
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 50.90
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate (CID 20781994) is 2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate is CCOCCOCCOC(=O)C[C@@H](O)C(F)(F)F.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate?
The InChIKey is ZCYFXINXGRIRTF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17F3O5/c1-2-16-3-4-17-5-6-18-9(15)7-8(14)10(11,12)13/h8,14H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate?
2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate has a molecular weight of 274.23 g/mol, XLogP of 0.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate is sourced from PubChem (CID 20781994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).