4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine

C9H8F6N2O2 — CID 122473474

IUPAC4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine
SMILESCc1cc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C9H8F6N2O2/c1-5-2-6(18-3-8(10,11)12)17-7(16-5)19-4-9(13,14)15/h2H,3-4H2,1H3
InChIKeyTWGVVUDLTYUDSV-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.67
Rot. Bonds4

About 4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine

4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 122473474) has the molecular formula C9H8F6N2O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID122473474
Molecular FormulaC9H8F6N2O2
Molecular Weight290.16 g/mol
Exact Mass290.05
IUPAC Name4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine
SMILESCc1cc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C9H8F6N2O2/c1-5-2-6(18-3-8(10,11)12)17-7(16-5)19-4-9(13,14)15/h2H,3-4H2,1H3
InChIKeyTWGVVUDLTYUDSV-UHFFFAOYSA-N
XLogP2.67
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine (CID 122473474) is 4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine is Cc1cc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of 4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is TWGVVUDLTYUDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O2/c1-5-2-6(18-3-8(10,11)12)17-7(16-5)19-4-9(13,14)15/h2H,3-4H2,1H3.
What are the key properties of 4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 290.16 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 122473474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).