ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate

C9H15FO3 — CID 12728534

IUPACethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)C1(F)CCCC1
InChIInChI=1S/C9H15FO3/c1-2-13-8(12)7(11)9(10)5-3-4-6-9/h7,11H,2-6H2,1H3
InChIKeyZRFSISRRFHDOGX-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.19
Rot. Bonds3

About ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate

ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate (PubChem CID 12728534) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate
PubChem CID12728534
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Nameethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)C1(F)CCCC1
InChIInChI=1S/C9H15FO3/c1-2-13-8(12)7(11)9(10)5-3-4-6-9/h7,11H,2-6H2,1H3
InChIKeyZRFSISRRFHDOGX-UHFFFAOYSA-N
XLogP1.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate
CID 165450789
ethyl 1-fluorocyclopentane-1-carboxylate
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ethyl (2S)-2-(1-benzoylcyclopentyl)-2-hydroxyacetate
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ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate
CID 79366198
ethyl 2-(1-hydroxycyclononyl)propanoate
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ethyl 2-chloro-2-hydroxyacetate
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ethyl (2S,3S)-3-chloro-2-hydroxynonanoate
CID 10421641
ethyl 2-[1-(aminomethyl)-4-ethylcyclohexyl]-2-hydroxyacetate
CID 79125049
ethyl 4,4-difluoro-2-(1-hydroxycyclopentyl)but-3-enoate
CID 11107253
ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate
CID 141498306
ethyl 3-amino-2-(1-methylcyclohexyl)-3-oxopropanoate
CID 18694888

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate (CID 12728534) is ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate is CCOC(=O)C(O)C1(F)CCCC1.
What is the InChIKey of ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate?
The InChIKey is ZRFSISRRFHDOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3/c1-2-13-8(12)7(11)9(10)5-3-4-6-9/h7,11H,2-6H2,1H3.
What are the key properties of ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate?
ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate has a molecular weight of 190.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate is sourced from PubChem (CID 12728534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).