cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate

C11H13FN2O2 — CID 170693930

IUPACcis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(F)C[C@H]1c1nccc(C)n1
InChIInChI=1S/C11H13FN2O2/c1-3-16-10(15)11(12)6-8(11)9-13-5-4-7(2)14-9/h4-5,8H,3,6H2,1-2H3/t8-,11-/m0/s1
InChIKeyLFMWCNXKLUGYMQ-KWQFWETISA-N
MW224.23 g/mol
LogP1.54
Rot. Bonds3

About cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate

cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate (PubChem CID 170693930) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
PubChem CID170693930
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Namecis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(F)C[C@H]1c1nccc(C)n1
InChIInChI=1S/C11H13FN2O2/c1-3-16-10(15)11(12)6-8(11)9-13-5-4-7(2)14-9/h4-5,8H,3,6H2,1-2H3/t8-,11-/m0/s1
InChIKeyLFMWCNXKLUGYMQ-KWQFWETISA-N
XLogP1.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)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 cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate (CID 170693930) is cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate is CCOC(=O)[C@]1(F)C[C@H]1c1nccc(C)n1.
What is the InChIKey of cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate?
The InChIKey is LFMWCNXKLUGYMQ-KWQFWETISA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-3-16-10(15)11(12)6-8(11)9-13-5-4-7(2)14-9/h4-5,8H,3,6H2,1-2H3/t8-,11-/m0/s1.
What are the key properties of cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate?
cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate has a molecular weight of 224.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2S)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 170693930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).