4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate

C12H15F4O4- — CID 164747567

IUPAC4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate
SMILESO=C([O-])C(F)(F)C(F)(F)C(=O)OCCC1CCCCC1
InChIInChI=1S/C12H16F4O4/c13-11(14,9(17)18)12(15,16)10(19)20-7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,17,18)/p-1
InChIKeyKZIIGHCFPAPEMV-UHFFFAOYSA-M
MW299.24 g/mol
LogP1.52
Rot. Bonds6

About 4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate

4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate (PubChem CID 164747567) has the molecular formula C12H15F4O4- and a molecular weight of 299.24 g/mol. Its IUPAC name is 4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate.

Molecular Properties

Compound Name4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate
PubChem CID164747567
Molecular FormulaC12H15F4O4-
Molecular Weight299.24 g/mol
Exact Mass299.09
IUPAC Name4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate
SMILESO=C([O-])C(F)(F)C(F)(F)C(=O)OCCC1CCCCC1
InChIInChI=1S/C12H16F4O4/c13-11(14,9(17)18)12(15,16)10(19)20-7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,17,18)/p-1
InChIKeyKZIIGHCFPAPEMV-UHFFFAOYSA-M
XLogP1.52
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 51.52
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

4-(cyclohexylmethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 59030191
2-cyclohexylethyl carbonochloridate
CID 19994353
2-cyclohexylethyl 2-aminoacetate
CID 54016535
2-cyclohexylethyl 2-hydroxyacetate
CID 67340221
2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate
CID 70951802
bis(2-cyclopentylethyl) propanedioate
CID 67140627
3-cyclohexylpropyl 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate
CID 58870858
2-cyclopentylethyl methyl carbonate
CID 66771150
2-cyclohexylethyl nitrate
CID 57206910
cyclohexylmethyl 2-chloro-2,2-difluoroacetate
CID 91692578
2-cyclohexylethyl 2-iodopropanoate
CID 155660085
2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
CID 159322408

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate?
The IUPAC name of 4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate (CID 164747567) is 4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate.
What is the SMILES notation for 4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate?
The canonical SMILES for 4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate is O=C([O-])C(F)(F)C(F)(F)C(=O)OCCC1CCCCC1.
What is the InChIKey of 4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate?
The InChIKey is KZIIGHCFPAPEMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16F4O4/c13-11(14,9(17)18)12(15,16)10(19)20-7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,17,18)/p-1.
What are the key properties of 4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate?
4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate has a molecular weight of 299.24 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate is sourced from PubChem (CID 164747567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).