ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate

C12H14FNO2 — CID 71061153

IUPACethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(CF)cn1
InChIInChI=1S/C12H14FNO2/c1-2-16-12(15)10-5-9(10)11-4-3-8(6-13)7-14-11/h3-4,7,9-10H,2,5-6H2,1H3
InChIKeySDRDCFKLWAZDSI-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.22
Rot. Bonds4

About ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate

ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate (PubChem CID 71061153) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate
PubChem CID71061153
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Nameethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(CF)cn1
InChIInChI=1S/C12H14FNO2/c1-2-16-12(15)10-5-9(10)11-4-3-8(6-13)7-14-11/h3-4,7,9-10H,2,5-6H2,1H3
InChIKeySDRDCFKLWAZDSI-UHFFFAOYSA-N
XLogP2.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate (CID 71061153) is ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1ccc(CF)cn1.
What is the InChIKey of ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate?
The InChIKey is SDRDCFKLWAZDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-16-12(15)10-5-9(10)11-4-3-8(6-13)7-14-11/h3-4,7,9-10H,2,5-6H2,1H3.
What are the key properties of ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate?
ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 71061153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).