6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde

C10H11F3N2O2 — CID 103150699

IUPAC6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2/c1-7-4-8(5-16)15-9(14-7)2-3-17-6-10(11,12)13/h4-5H,2-3,6H2,1H3
InChIKeyLPZNGSRGHHIVBJ-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.72
Rot. Bonds5

About 6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde

6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde (PubChem CID 103150699) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde
PubChem CID103150699
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2/c1-7-4-8(5-16)15-9(14-7)2-3-17-6-10(11,12)13/h4-5H,2-3,6H2,1H3
InChIKeyLPZNGSRGHHIVBJ-UHFFFAOYSA-N
XLogP1.72
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde?
The IUPAC name of 6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde (CID 103150699) is 6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde is Cc1cc(C=O)nc(CCOCC(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde?
The InChIKey is LPZNGSRGHHIVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-7-4-8(5-16)15-9(14-7)2-3-17-6-10(11,12)13/h4-5H,2-3,6H2,1H3.
What are the key properties of 6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde?
6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde has a molecular weight of 248.20 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carbaldehyde is sourced from PubChem (CID 103150699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).