2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine

C9H5F9N2O2 — CID 118498160

IUPAC2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)COc1ncc(C(F)(F)F)c(OCC(F)(F)F)n1
InChIInChI=1S/C9H5F9N2O2/c10-7(11,12)2-21-5-4(9(16,17)18)1-19-6(20-5)22-3-8(13,14)15/h1H,2-3H2
InChIKeyNWFQLNPMKBHGIZ-UHFFFAOYSA-N
MW344.13 g/mol
LogP3.38
Rot. Bonds4

About 2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine

2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine (PubChem CID 118498160) has the molecular formula C9H5F9N2O2 and a molecular weight of 344.13 g/mol. Its IUPAC name is 2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
PubChem CID118498160
Molecular FormulaC9H5F9N2O2
Molecular Weight344.13 g/mol
Exact Mass344.02
IUPAC Name2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)COc1ncc(C(F)(F)F)c(OCC(F)(F)F)n1
InChIInChI=1S/C9H5F9N2O2/c10-7(11,12)2-21-5-4(9(16,17)18)1-19-6(20-5)22-3-8(13,14)15/h1H,2-3H2
InChIKeyNWFQLNPMKBHGIZ-UHFFFAOYSA-N
XLogP3.38
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine (CID 118498160) is 2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine is FC(F)(F)COc1ncc(C(F)(F)F)c(OCC(F)(F)F)n1.
What is the InChIKey of 2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine?
The InChIKey is NWFQLNPMKBHGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F9N2O2/c10-7(11,12)2-21-5-4(9(16,17)18)1-19-6(20-5)22-3-8(13,14)15/h1H,2-3H2.
What are the key properties of 2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine?
2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine has a molecular weight of 344.13 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118498160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).