4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid

C13H21FO4 — CID 154714377

IUPAC4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid
SMILESCCOC(=O)C1(C(C)(F)CCC(=O)O)CCCC1
InChIInChI=1S/C13H21FO4/c1-3-18-11(17)13(7-4-5-8-13)12(2,14)9-6-10(15)16/h3-9H2,1-2H3,(H,15,16)
InChIKeyLHWFDVFZBKSABK-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.70
Rot. Bonds6

About 4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid

4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid (PubChem CID 154714377) has the molecular formula C13H21FO4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid.

Molecular Properties

Compound Name4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid
PubChem CID154714377
Molecular FormulaC13H21FO4
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid
SMILESCCOC(=O)C1(C(C)(F)CCC(=O)O)CCCC1
InChIInChI=1S/C13H21FO4/c1-3-18-11(17)13(7-4-5-8-13)12(2,14)9-6-10(15)16/h3-9H2,1-2H3,(H,15,16)
InChIKeyLHWFDVFZBKSABK-UHFFFAOYSA-N
XLogP2.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid?
The IUPAC name of 4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid (CID 154714377) is 4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid.
What is the SMILES notation for 4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid?
The canonical SMILES for 4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid is CCOC(=O)C1(C(C)(F)CCC(=O)O)CCCC1.
What is the InChIKey of 4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid?
The InChIKey is LHWFDVFZBKSABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO4/c1-3-18-11(17)13(7-4-5-8-13)12(2,14)9-6-10(15)16/h3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid?
4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid has a molecular weight of 260.30 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxycarbonylcyclopentyl)-4-fluoropentanoic acid is sourced from PubChem (CID 154714377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).