2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine

C13H12F2N2O2 — CID 168870606

IUPAC2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine
SMILESFC1(F)C2CC3(CCC21c1ncccn1)OC=CO3
InChIInChI=1S/C13H12F2N2O2/c14-13(15)9-8-11(18-6-7-19-11)2-3-12(9,13)10-16-4-1-5-17-10/h1,4-7,9H,2-3,8H2
InChIKeyLFYRBGYOVHSDIG-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.38
Rot. Bonds1

About 2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine

2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine (PubChem CID 168870606) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine.

Molecular Properties

Compound Name2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine
PubChem CID168870606
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine
SMILESFC1(F)C2CC3(CCC21c1ncccn1)OC=CO3
InChIInChI=1S/C13H12F2N2O2/c14-13(15)9-8-11(18-6-7-19-11)2-3-12(9,13)10-16-4-1-5-17-10/h1,4-7,9H,2-3,8H2
InChIKeyLFYRBGYOVHSDIG-UHFFFAOYSA-N
XLogP2.38
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine?
The IUPAC name of 2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine (CID 168870606) is 2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine.
What is the SMILES notation for 2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine?
The canonical SMILES for 2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine is FC1(F)C2CC3(CCC21c1ncccn1)OC=CO3.
What is the InChIKey of 2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine?
The InChIKey is LFYRBGYOVHSDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c14-13(15)9-8-11(18-6-7-19-11)2-3-12(9,13)10-16-4-1-5-17-10/h1,4-7,9H,2-3,8H2.
What are the key properties of 2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine?
2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine has a molecular weight of 266.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7',7'-difluorospiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]-1'-yl)pyrimidine is sourced from PubChem (CID 168870606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).