ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate

C11H19FO3 — CID 79356559

IUPACethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate
SMILESCCOC(=O)C(F)OC1CCC(C)CC1
InChIInChI=1S/C11H19FO3/c1-3-14-11(13)10(12)15-9-6-4-8(2)5-7-9/h8-10H,3-7H2,1-2H3
InChIKeyHVDHGPGRSBUZGM-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.44
Rot. Bonds4

About ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate

ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate (PubChem CID 79356559) has the molecular formula C11H19FO3 and a molecular weight of 218.27 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate
PubChem CID79356559
Molecular FormulaC11H19FO3
Molecular Weight218.27 g/mol
Exact Mass218.13
IUPAC Nameethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate
SMILESCCOC(=O)C(F)OC1CCC(C)CC1
InChIInChI=1S/C11H19FO3/c1-3-14-11(13)10(12)15-9-6-4-8(2)5-7-9/h8-10H,3-7H2,1-2H3
InChIKeyHVDHGPGRSBUZGM-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate?
The IUPAC name of ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate (CID 79356559) is ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate is CCOC(=O)C(F)OC1CCC(C)CC1.
What is the InChIKey of ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate?
The InChIKey is HVDHGPGRSBUZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO3/c1-3-14-11(13)10(12)15-9-6-4-8(2)5-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate?
ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate has a molecular weight of 218.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate is sourced from PubChem (CID 79356559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).