[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate

C13H21FO4 — CID 58225705

IUPAC[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate
SMILESCCC1(OC(=O)COC(=O)C(C)F)CCCCC1
InChIInChI=1S/C13H21FO4/c1-3-13(7-5-4-6-8-13)18-11(15)9-17-12(16)10(2)14/h10H,3-9H2,1-2H3
InChIKeyRGGPOAQIZNYDPY-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.54
Rot. Bonds5

About [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate

[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate (PubChem CID 58225705) has the molecular formula C13H21FO4 and a molecular weight of 260.30 g/mol. Its IUPAC name is [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate.

Molecular Properties

Compound Name[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate
PubChem CID58225705
Molecular FormulaC13H21FO4
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate
SMILESCCC1(OC(=O)COC(=O)C(C)F)CCCCC1
InChIInChI=1S/C13H21FO4/c1-3-13(7-5-4-6-8-13)18-11(15)9-17-12(16)10(2)14/h10H,3-9H2,1-2H3
InChIKeyRGGPOAQIZNYDPY-UHFFFAOYSA-N
XLogP2.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.54
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-fluoropropanoate?
The IUPAC name of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate (CID 58225705) is [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate.
What is the SMILES notation for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate?
The canonical SMILES for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate is CCC1(OC(=O)COC(=O)C(C)F)CCCCC1.
What is the InChIKey of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate?
The InChIKey is RGGPOAQIZNYDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO4/c1-3-13(7-5-4-6-8-13)18-11(15)9-17-12(16)10(2)14/h10H,3-9H2,1-2H3.
What are the key properties of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate?
[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate has a molecular weight of 260.30 g/mol, XLogP of 2.54, 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-fluoropropanoate is sourced from PubChem (CID 58225705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).