ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate

C10H15FO3 — CID 154577034

IUPACethyl 2-fluoro-2-(4-oxocyclohexyl)acetate
SMILESCCOC(=O)C(F)C1CCC(=O)CC1
InChIInChI=1S/C10H15FO3/c1-2-14-10(13)9(11)7-3-5-8(12)6-4-7/h7,9H,2-6H2,1H3
InChIKeyKBSWSFLKHYVHTH-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.65
Rot. Bonds3

About ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate

ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate (PubChem CID 154577034) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-oxocyclohexyl)acetate
PubChem CID154577034
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Nameethyl 2-fluoro-2-(4-oxocyclohexyl)acetate
SMILESCCOC(=O)C(F)C1CCC(=O)CC1
InChIInChI=1S/C10H15FO3/c1-2-14-10(13)9(11)7-3-5-8(12)6-4-7/h7,9H,2-6H2,1H3
InChIKeyKBSWSFLKHYVHTH-UHFFFAOYSA-N
XLogP1.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate (CID 154577034) is ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate is CCOC(=O)C(F)C1CCC(=O)CC1.
What is the InChIKey of ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate?
The InChIKey is KBSWSFLKHYVHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO3/c1-2-14-10(13)9(11)7-3-5-8(12)6-4-7/h7,9H,2-6H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate?
ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate has a molecular weight of 202.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-oxocyclohexyl)acetate is sourced from PubChem (CID 154577034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).