5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine

C13H15FN2O2 — CID 162782496

IUPAC5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine
SMILESFc1cnc(C23CCC4(CC2C3)OCCO4)nc1
InChIInChI=1S/C13H15FN2O2/c14-10-7-15-11(16-8-10)12-1-2-13(6-9(12)5-12)17-3-4-18-13/h7-9H,1-6H2
InChIKeySYSRMTQLCMBDCO-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.80
Rot. Bonds1

About 5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine

5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine (PubChem CID 162782496) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine
PubChem CID162782496
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine
SMILESFc1cnc(C23CCC4(CC2C3)OCCO4)nc1
InChIInChI=1S/C13H15FN2O2/c14-10-7-15-11(16-8-10)12-1-2-13(6-9(12)5-12)17-3-4-18-13/h7-9H,1-6H2
InChIKeySYSRMTQLCMBDCO-UHFFFAOYSA-N
XLogP1.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine?
The IUPAC name of 5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine (CID 162782496) is 5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine.
What is the SMILES notation for 5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine?
The canonical SMILES for 5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine is Fc1cnc(C23CCC4(CC2C3)OCCO4)nc1.
What is the InChIKey of 5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine?
The InChIKey is SYSRMTQLCMBDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-10-7-15-11(16-8-10)12-1-2-13(6-9(12)5-12)17-3-4-18-13/h7-9H,1-6H2.
What are the key properties of 5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine?
5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine has a molecular weight of 250.27 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylpyrimidine is sourced from PubChem (CID 162782496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).