4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate

C11H13F4O4- — CID 177084900

IUPAC4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate
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)/p-1
InChIKeyMSOKEGNLMFMIIT-UHFFFAOYSA-M
MW285.21 g/mol
LogP1.27
Rot. Bonds5

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

4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate (PubChem CID 177084900) has the molecular formula C11H13F4O4- and a molecular weight of 285.21 g/mol. Its IUPAC name is 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate.

Molecular Properties

Compound Name4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate
PubChem CID177084900
Molecular FormulaC11H13F4O4-
Molecular Weight285.21 g/mol
Exact Mass285.08
IUPAC Name4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate
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)/p-1
InChIKeyMSOKEGNLMFMIIT-UHFFFAOYSA-M
XLogP1.27
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Succinic acid, 2,2,3,3-tetrafluoropropyl 1-cyclopentylethyl ester
CID 91734881
1-O-cyclopentyl 4-O-(1-methylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372419
Bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372449
1-O-(1-methylcyclobutyl) 4-O-(1-methylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372453
(1-Ethylcyclopentyl) 2,2,3-trifluoropropanoate
CID 59222809
4-(1-Ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 155383250
2,2,3,3-Tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid
CID 155383252
(1-Ethylcyclopentyl) 2,2,3,3,4,4-hexafluoropentanoate
CID 157685515
[1-(Trifluoromethyl)cyclopentyl] butanoate
CID 164086557
1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate
CID 174588984
1-O-(1-ethylcyclohexyl) 4-O-fluoro 2,2,3-trifluorobutanedioate
CID 174603904
2,2,3,3-Tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate
CID 177084903

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate?
The IUPAC name of 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate (CID 177084900) is 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate.
What is the SMILES notation for 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate?
The canonical SMILES for 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate 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-oxobutanoate?
The InChIKey is MSOKEGNLMFMIIT-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate?
4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate has a molecular weight of 285.21 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate is sourced from PubChem (CID 177084900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).