ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate

C10H17FO3 — CID 166968041

IUPACethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(OF)CC1CC
InChIInChI=1S/C10H17FO3/c1-3-7-5-8(14-11)6-9(7)10(12)13-4-2/h7-9H,3-6H2,1-2H3
InChIKeyPIEYMCFWWHRORH-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.26
Rot. Bonds4

About ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate

ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate (PubChem CID 166968041) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate
PubChem CID166968041
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Nameethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(OF)CC1CC
InChIInChI=1S/C10H17FO3/c1-3-7-5-8(14-11)6-9(7)10(12)13-4-2/h7-9H,3-6H2,1-2H3
InChIKeyPIEYMCFWWHRORH-UHFFFAOYSA-N
XLogP2.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate (CID 166968041) is ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate is CCOC(=O)C1CC(OF)CC1CC.
What is the InChIKey of ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate?
The InChIKey is PIEYMCFWWHRORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3/c1-3-7-5-8(14-11)6-9(7)10(12)13-4-2/h7-9H,3-6H2,1-2H3.
What are the key properties of ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate?
ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate has a molecular weight of 204.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate is sourced from PubChem (CID 166968041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).