ethyl 1-fluorocyclopentane-1-carboxylate

C8H13FO2 — CID 14460277

IUPACethyl 1-fluorocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(F)CCCC1
InChIInChI=1S/C8H13FO2/c1-2-11-7(10)8(9)5-3-4-6-8/h2-6H2,1H3
InChIKeyPVZREIUHBWNFHL-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.83
Rot. Bonds2

About ethyl 1-fluorocyclopentane-1-carboxylate

ethyl 1-fluorocyclopentane-1-carboxylate (PubChem CID 14460277) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is ethyl 1-fluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-fluorocyclopentane-1-carboxylate
PubChem CID14460277
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Nameethyl 1-fluorocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(F)CCCC1
InChIInChI=1S/C8H13FO2/c1-2-11-7(10)8(9)5-3-4-6-8/h2-6H2,1H3
InChIKeyPVZREIUHBWNFHL-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-fluorocyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-fluorocyclopentane-1-carboxylate (CID 14460277) is ethyl 1-fluorocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-fluorocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-fluorocyclopentane-1-carboxylate is CCOC(=O)C1(F)CCCC1.
What is the InChIKey of ethyl 1-fluorocyclopentane-1-carboxylate?
The InChIKey is PVZREIUHBWNFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-2-11-7(10)8(9)5-3-4-6-8/h2-6H2,1H3.
What are the key properties of ethyl 1-fluorocyclopentane-1-carboxylate?
ethyl 1-fluorocyclopentane-1-carboxylate has a molecular weight of 160.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluorocyclopentane-1-carboxylate is sourced from PubChem (CID 14460277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).