4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C10H12F2N2O — CID 126954712

IUPAC4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(OCC(F)F)n1)CCC2
InChIInChI=1S/C10H12F2N2O/c1-6-13-8-4-2-3-7(8)10(14-6)15-5-9(11)12/h9H,2-5H2,1H3
InChIKeyCJJOXAJASCIONN-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.92
Rot. Bonds3

About 4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 126954712) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID126954712
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(OCC(F)F)n1)CCC2
InChIInChI=1S/C10H12F2N2O/c1-6-13-8-4-2-3-7(8)10(14-6)15-5-9(11)12/h9H,2-5H2,1H3
InChIKeyCJJOXAJASCIONN-UHFFFAOYSA-N
XLogP1.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 126954712) is 4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc2c(c(OCC(F)F)n1)CCC2.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is CJJOXAJASCIONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6-13-8-4-2-3-7(8)10(14-6)15-5-9(11)12/h9H,2-5H2,1H3.
What are the key properties of 4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 214.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 126954712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).