ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate

C10H15FO3 — CID 79366645

IUPACethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate
SMILESCCOC(=O)C(F)C1(O)C=C(C)CC1
InChIInChI=1S/C10H15FO3/c1-3-14-9(12)8(11)10(13)5-4-7(2)6-10/h6,8,13H,3-5H2,1-2H3
InChIKeyOPWATAHXYYVHDA-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.36
Rot. Bonds3

About ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate

ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate (PubChem CID 79366645) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate
PubChem CID79366645
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Nameethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate
SMILESCCOC(=O)C(F)C1(O)C=C(C)CC1
InChIInChI=1S/C10H15FO3/c1-3-14-9(12)8(11)10(13)5-4-7(2)6-10/h6,8,13H,3-5H2,1-2H3
InChIKeyOPWATAHXYYVHDA-UHFFFAOYSA-N
XLogP1.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate (CID 79366645) is ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate is CCOC(=O)C(F)C1(O)C=C(C)CC1.
What is the InChIKey of ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate?
The InChIKey is OPWATAHXYYVHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO3/c1-3-14-9(12)8(11)10(13)5-4-7(2)6-10/h6,8,13H,3-5H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate?
ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate has a molecular weight of 202.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclopent-2-en-1-yl)acetate is sourced from PubChem (CID 79366645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).