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

C11H13FN2O2 — CID 170693955

IUPACcis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@]1(F)c1nccc(C)n1
InChIInChI=1S/C11H13FN2O2/c1-3-16-9(15)8-6-11(8,12)10-13-5-4-7(2)14-10/h4-5,8H,3,6H2,1-2H3/t8-,11-/m1/s1
InChIKeyKORFXPVTFLMAOW-LDYMZIIASA-N
MW224.23 g/mol
LogP1.53
Rot. Bonds3

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

cis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate (PubChem CID 170693955) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
PubChem CID170693955
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Namecis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@]1(F)c1nccc(C)n1
InChIInChI=1S/C11H13FN2O2/c1-3-16-9(15)8-6-11(8,12)10-13-5-4-7(2)14-10/h4-5,8H,3,6H2,1-2H3/t8-,11-/m1/s1
InChIKeyKORFXPVTFLMAOW-LDYMZIIASA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate (CID 170693955) is cis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@]1(F)c1nccc(C)n1.
What is the InChIKey of cis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate?
The InChIKey is KORFXPVTFLMAOW-LDYMZIIASA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-3-16-9(15)8-6-11(8,12)10-13-5-4-7(2)14-10/h4-5,8H,3,6H2,1-2H3/t8-,11-/m1/s1.
What are the key properties of cis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate?
cis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate has a molecular weight of 224.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 170693955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).