ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate

C12H12ClFO2 — CID 59161500

IUPACethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(F)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClFO2/c1-2-16-11(15)10-7-12(10,14)8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3
InChIKeyMUZPQRQJSCNPRK-UHFFFAOYSA-N
MW242.68 g/mol
LogP3.09
Rot. Bonds3

About ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate

ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate (PubChem CID 59161500) has the molecular formula C12H12ClFO2 and a molecular weight of 242.68 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate
PubChem CID59161500
Molecular FormulaC12H12ClFO2
Molecular Weight242.68 g/mol
Exact Mass242.05
IUPAC Nameethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(F)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClFO2/c1-2-16-11(15)10-7-12(10,14)8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3
InChIKeyMUZPQRQJSCNPRK-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate (CID 59161500) is ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate is CCOC(=O)C1CC1(F)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate?
The InChIKey is MUZPQRQJSCNPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO2/c1-2-16-11(15)10-7-12(10,14)8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate?
ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate has a molecular weight of 242.68 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-2-fluorocyclopropane-1-carboxylate is sourced from PubChem (CID 59161500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).