[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate

C14H23FO4 — CID 59602473

IUPAC[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate
SMILESCCC1(OC(=O)COC(=O)C(C)(C)F)CCCCC1
InChIInChI=1S/C14H23FO4/c1-4-14(8-6-5-7-9-14)19-11(16)10-18-12(17)13(2,3)15/h4-10H2,1-3H3
InChIKeyXDQUEZQNRQWWAX-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.93
Rot. Bonds5

About [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate

[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate (PubChem CID 59602473) has the molecular formula C14H23FO4 and a molecular weight of 274.33 g/mol. Its IUPAC name is [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Name[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate
PubChem CID59602473
Molecular FormulaC14H23FO4
Molecular Weight274.33 g/mol
Exact Mass274.16
IUPAC Name[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate
SMILESCCC1(OC(=O)COC(=O)C(C)(C)F)CCCCC1
InChIInChI=1S/C14H23FO4/c1-4-14(8-6-5-7-9-14)19-11(16)10-18-12(17)13(2,3)15/h4-10H2,1-3H3
InChIKeyXDQUEZQNRQWWAX-UHFFFAOYSA-N
XLogP2.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate?
The IUPAC name of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate (CID 59602473) is [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate.
What is the SMILES notation for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate?
The canonical SMILES for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate is CCC1(OC(=O)COC(=O)C(C)(C)F)CCCCC1.
What is the InChIKey of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate?
The InChIKey is XDQUEZQNRQWWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO4/c1-4-14(8-6-5-7-9-14)19-11(16)10-18-12(17)13(2,3)15/h4-10H2,1-3H3.
What are the key properties of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate?
[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate has a molecular weight of 274.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate is sourced from PubChem (CID 59602473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).