4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine

C8H7F2N3O — CID 126954087

IUPAC4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFC(F)COc1ncnc2[nH]ccc12
InChIInChI=1S/C8H7F2N3O/c9-6(10)3-14-8-5-1-2-11-7(5)12-4-13-8/h1-2,4,6H,3H2,(H,11,12,13)
InChIKeyYEZYELSZEJJVTP-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.60
Rot. Bonds3

About 4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine

4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 126954087) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID126954087
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFC(F)COc1ncnc2[nH]ccc12
InChIInChI=1S/C8H7F2N3O/c9-6(10)3-14-8-5-1-2-11-7(5)12-4-13-8/h1-2,4,6H,3H2,(H,11,12,13)
InChIKeyYEZYELSZEJJVTP-UHFFFAOYSA-N
XLogP1.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine (CID 126954087) is 4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine is FC(F)COc1ncnc2[nH]ccc12.
What is the InChIKey of 4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is YEZYELSZEJJVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-6(10)3-14-8-5-1-2-11-7(5)12-4-13-8/h1-2,4,6H,3H2,(H,11,12,13).
What are the key properties of 4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine?
4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 199.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 126954087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).