ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate

C9H13FO4 — CID 129214254

IUPACethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(F)CC1(C)OC(C)=O
InChIInChI=1S/C9H13FO4/c1-4-13-7(12)9(10)5-8(9,3)14-6(2)11/h4-5H2,1-3H3
InChIKeyIMRHABBYGKJQJK-UHFFFAOYSA-N
MW204.20 g/mol
LogP0.98
Rot. Bonds3

About ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate

ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate (PubChem CID 129214254) has the molecular formula C9H13FO4 and a molecular weight of 204.20 g/mol. Its IUPAC name is ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate
PubChem CID129214254
Molecular FormulaC9H13FO4
Molecular Weight204.20 g/mol
Exact Mass204.08
IUPAC Nameethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(F)CC1(C)OC(C)=O
InChIInChI=1S/C9H13FO4/c1-4-13-7(12)9(10)5-8(9,3)14-6(2)11/h4-5H2,1-3H3
InChIKeyIMRHABBYGKJQJK-UHFFFAOYSA-N
XLogP0.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate (CID 129214254) is ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate is CCOC(=O)C1(F)CC1(C)OC(C)=O.
What is the InChIKey of ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate?
The InChIKey is IMRHABBYGKJQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO4/c1-4-13-7(12)9(10)5-8(9,3)14-6(2)11/h4-5H2,1-3H3.
What are the key properties of ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate?
ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate has a molecular weight of 204.20 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-1-fluoro-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 129214254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).