2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine

C8H7F5N2O2 — CID 91806793

IUPAC2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine
SMILESCCOc1cc(C(F)(F)F)nc(OC(F)F)n1
InChIInChI=1S/C8H7F5N2O2/c1-2-16-5-3-4(8(11,12)13)14-7(15-5)17-6(9)10/h3,6H,2H2,1H3
InChIKeyCBLPKQALFCCCHP-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.50
Rot. Bonds4

About 2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine

2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine (PubChem CID 91806793) has the molecular formula C8H7F5N2O2 and a molecular weight of 258.15 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine
PubChem CID91806793
Molecular FormulaC8H7F5N2O2
Molecular Weight258.15 g/mol
Exact Mass258.04
IUPAC Name2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine
SMILESCCOc1cc(C(F)(F)F)nc(OC(F)F)n1
InChIInChI=1S/C8H7F5N2O2/c1-2-16-5-3-4(8(11,12)13)14-7(15-5)17-6(9)10/h3,6H,2H2,1H3
InChIKeyCBLPKQALFCCCHP-UHFFFAOYSA-N
XLogP2.50
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine (CID 91806793) is 2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine is CCOc1cc(C(F)(F)F)nc(OC(F)F)n1.
What is the InChIKey of 2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is CBLPKQALFCCCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O2/c1-2-16-5-3-4(8(11,12)13)14-7(15-5)17-6(9)10/h3,6H,2H2,1H3.
What are the key properties of 2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine?
2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 258.15 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-ethoxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91806793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).