2-ethoxy-4,6-difluoropyrimidine

C6H6F2N2O — CID 11040985

IUPAC2-ethoxy-4,6-difluoropyrimidine
SMILESCCOc1nc(F)cc(F)n1
InChIInChI=1S/C6H6F2N2O/c1-2-11-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3
InChIKeySGVUAJWRAOSPNC-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.15
Rot. Bonds2

About 2-ethoxy-4,6-difluoropyrimidine

2-ethoxy-4,6-difluoropyrimidine (PubChem CID 11040985) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 2-ethoxy-4,6-difluoropyrimidine.

Molecular Properties

Compound Name2-ethoxy-4,6-difluoropyrimidine
PubChem CID11040985
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name2-ethoxy-4,6-difluoropyrimidine
SMILESCCOc1nc(F)cc(F)n1
InChIInChI=1S/C6H6F2N2O/c1-2-11-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3
InChIKeySGVUAJWRAOSPNC-UHFFFAOYSA-N
XLogP1.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,6-difluoropyrimidine?
The IUPAC name of 2-ethoxy-4,6-difluoropyrimidine (CID 11040985) is 2-ethoxy-4,6-difluoropyrimidine.
What is the SMILES notation for 2-ethoxy-4,6-difluoropyrimidine?
The canonical SMILES for 2-ethoxy-4,6-difluoropyrimidine is CCOc1nc(F)cc(F)n1.
What is the InChIKey of 2-ethoxy-4,6-difluoropyrimidine?
The InChIKey is SGVUAJWRAOSPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c1-2-11-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3.
What are the key properties of 2-ethoxy-4,6-difluoropyrimidine?
2-ethoxy-4,6-difluoropyrimidine has a molecular weight of 160.12 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,6-difluoropyrimidine is sourced from PubChem (CID 11040985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).