ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate

C10H17FN2O3 — CID 110283306

IUPACethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1NCCN(CCF)C1=O
InChIInChI=1S/C10H17FN2O3/c1-2-16-9(14)7-8-10(15)13(5-3-11)6-4-12-8/h8,12H,2-7H2,1H3
InChIKeyGFKHOMTVSMYPTI-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.29
Rot. Bonds5

About ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate

ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 110283306) has the molecular formula C10H17FN2O3 and a molecular weight of 232.25 g/mol. Its IUPAC name is ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
PubChem CID110283306
Molecular FormulaC10H17FN2O3
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Nameethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1NCCN(CCF)C1=O
InChIInChI=1S/C10H17FN2O3/c1-2-16-9(14)7-8-10(15)13(5-3-11)6-4-12-8/h8,12H,2-7H2,1H3
InChIKeyGFKHOMTVSMYPTI-UHFFFAOYSA-N
XLogP-0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate (CID 110283306) is ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate is CCOC(=O)CC1NCCN(CCF)C1=O.
What is the InChIKey of ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is GFKHOMTVSMYPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O3/c1-2-16-9(14)7-8-10(15)13(5-3-11)6-4-12-8/h8,12H,2-7H2,1H3.
What are the key properties of ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate?
ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 232.25 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 110283306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).