ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate

C12H21FO3 — CID 79356654

IUPACethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate
SMILESCCOC(=O)C(F)OC1CCCCC1CC
InChIInChI=1S/C12H21FO3/c1-3-9-7-5-6-8-10(9)16-11(13)12(14)15-4-2/h9-11H,3-8H2,1-2H3
InChIKeySNRMYNRPXIUXIG-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.83
Rot. Bonds5

About ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate

ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate (PubChem CID 79356654) has the molecular formula C12H21FO3 and a molecular weight of 232.29 g/mol. Its IUPAC name is ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate
PubChem CID79356654
Molecular FormulaC12H21FO3
Molecular Weight232.29 g/mol
Exact Mass232.15
IUPAC Nameethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate
SMILESCCOC(=O)C(F)OC1CCCCC1CC
InChIInChI=1S/C12H21FO3/c1-3-9-7-5-6-8-10(9)16-11(13)12(14)15-4-2/h9-11H,3-8H2,1-2H3
InChIKeySNRMYNRPXIUXIG-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate
CID 79356559
ethyl 2-(2-ethylcyclohexyl)oxyacetate
CID 43119660
(2-ethylcyclohexyl) 2-aminopropanoate
CID 61277036
ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate
CID 63038895
ethyl 3-(2-ethylcyclohexyl)oxypropanoate
CID 43365260
ethyl 2-(2-aminocyclohexyl)oxypropanoate
CID 106940844
ethyl 2-(4,4-dimethylcyclohexyl)oxy-2-fluoroacetate
CID 114340350
(2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
CID 113311275
(2-ethylcyclohexyl) 2-amino-3-methylbutanoate
CID 61277440
3-(2-ethylcyclohexyl)oxybutan-1-amine
CID 114995089
(2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate
CID 61277251
1-ethyl-2-hydroperoxycyclohexane
CID 175085860

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate?
The IUPAC name of ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate (CID 79356654) is ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate is CCOC(=O)C(F)OC1CCCCC1CC.
What is the InChIKey of ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate?
The InChIKey is SNRMYNRPXIUXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO3/c1-3-9-7-5-6-8-10(9)16-11(13)12(14)15-4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate?
ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate has a molecular weight of 232.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate is sourced from PubChem (CID 79356654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).