[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate

C12H17FO4 — CID 58758073

IUPAC[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC(=O)OC1(CC)CCCC1
InChIInChI=1S/C12H17FO4/c1-3-12(6-4-5-7-12)17-10(14)8-16-11(15)9(2)13/h2-8H2,1H3
InChIKeyHJYWTXAGERLDPS-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.28
Rot. Bonds5

About [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate

[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate (PubChem CID 58758073) has the molecular formula C12H17FO4 and a molecular weight of 244.26 g/mol. Its IUPAC name is [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate
PubChem CID58758073
Molecular FormulaC12H17FO4
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC(=O)OC1(CC)CCCC1
InChIInChI=1S/C12H17FO4/c1-3-12(6-4-5-7-12)17-10(14)8-16-11(15)9(2)13/h2-8H2,1H3
InChIKeyHJYWTXAGERLDPS-UHFFFAOYSA-N
XLogP2.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate?
The IUPAC name of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate (CID 58758073) is [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate.
What is the SMILES notation for [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate?
The canonical SMILES for [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate is C=C(F)C(=O)OCC(=O)OC1(CC)CCCC1.
What is the InChIKey of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate?
The InChIKey is HJYWTXAGERLDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO4/c1-3-12(6-4-5-7-12)17-10(14)8-16-11(15)9(2)13/h2-8H2,1H3.
What are the key properties of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate?
[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate has a molecular weight of 244.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2-fluoroprop-2-enoate is sourced from PubChem (CID 58758073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).