ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate

C12H21FO2 — CID 138725713

IUPACethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(CC(C)(C)F)C1(C)C
InChIInChI=1S/C12H21FO2/c1-6-15-10(14)9-8(12(9,4)5)7-11(2,3)13/h8-9H,6-7H2,1-5H3
InChIKeyONSYCYOVUUPTBB-UHFFFAOYSA-N
MW216.30 g/mol
LogP2.96
Rot. Bonds4

About ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate

ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 138725713) has the molecular formula C12H21FO2 and a molecular weight of 216.30 g/mol. Its IUPAC name is ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID138725713
Molecular FormulaC12H21FO2
Molecular Weight216.30 g/mol
Exact Mass216.15
IUPAC Nameethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(CC(C)(C)F)C1(C)C
InChIInChI=1S/C12H21FO2/c1-6-15-10(14)9-8(12(9,4)5)7-11(2,3)13/h8-9H,6-7H2,1-5H3
InChIKeyONSYCYOVUUPTBB-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 138725713) is ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate is CCOC(=O)C1C(CC(C)(C)F)C1(C)C.
What is the InChIKey of ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is ONSYCYOVUUPTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO2/c1-6-15-10(14)9-8(12(9,4)5)7-11(2,3)13/h8-9H,6-7H2,1-5H3.
What are the key properties of ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate?
ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 216.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 138725713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).