2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine

C9H10F2N2O — CID 57029933

IUPAC2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine
SMILESFC(F)(CC1CC1)Oc1ncccn1
InChIInChI=1S/C9H10F2N2O/c10-9(11,6-7-2-3-7)14-8-12-4-1-5-13-8/h1,4-5,7H,2-3,6H2
InChIKeyZVXYHMLUDUTBRU-UHFFFAOYSA-N
MW200.19 g/mol
LogP2.25
Rot. Bonds4

About 2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine

2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine (PubChem CID 57029933) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine
PubChem CID57029933
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine
SMILESFC(F)(CC1CC1)Oc1ncccn1
InChIInChI=1S/C9H10F2N2O/c10-9(11,6-7-2-3-7)14-8-12-4-1-5-13-8/h1,4-5,7H,2-3,6H2
InChIKeyZVXYHMLUDUTBRU-UHFFFAOYSA-N
XLogP2.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine?
The IUPAC name of 2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine (CID 57029933) is 2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine.
What is the SMILES notation for 2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine?
The canonical SMILES for 2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine is FC(F)(CC1CC1)Oc1ncccn1.
What is the InChIKey of 2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine?
The InChIKey is ZVXYHMLUDUTBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-9(11,6-7-2-3-7)14-8-12-4-1-5-13-8/h1,4-5,7H,2-3,6H2.
What are the key properties of 2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine?
2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine has a molecular weight of 200.19 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-1,1-difluoroethoxy)pyrimidine is sourced from PubChem (CID 57029933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).