4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid

C11H14F4O4 — CID 155383250

IUPAC4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid
SMILESCCC1(OC(=O)C(F)(F)C(F)(F)C(=O)O)CCCC1
InChIInChI=1S/C11H14F4O4/c1-2-9(5-3-4-6-9)19-8(18)11(14,15)10(12,13)7(16)17/h2-6H2,1H3,(H,16,17)
InChIKeyMSOKEGNLMFMIIT-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.61
Rot. Bonds5

About 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid

4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid (PubChem CID 155383250) has the molecular formula C11H14F4O4 and a molecular weight of 286.22 g/mol. Its IUPAC name is 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid
PubChem CID155383250
Molecular FormulaC11H14F4O4
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid
SMILESCCC1(OC(=O)C(F)(F)C(F)(F)C(=O)O)CCCC1
InChIInChI=1S/C11H14F4O4/c1-2-9(5-3-4-6-9)19-8(18)11(14,15)10(12,13)7(16)17/h2-6H2,1H3,(H,16,17)
InChIKeyMSOKEGNLMFMIIT-UHFFFAOYSA-N
XLogP2.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
The IUPAC name of 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid (CID 155383250) is 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid.
What is the SMILES notation for 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
The canonical SMILES for 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid is CCC1(OC(=O)C(F)(F)C(F)(F)C(=O)O)CCCC1.
What is the InChIKey of 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
The InChIKey is MSOKEGNLMFMIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4O4/c1-2-9(5-3-4-6-9)19-8(18)11(14,15)10(12,13)7(16)17/h2-6H2,1H3,(H,16,17).
What are the key properties of 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid has a molecular weight of 286.22 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid is sourced from PubChem (CID 155383250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).