2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde

C8H7F3N2O2 — CID 83889194

IUPAC2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde
SMILESCOc1cc(CC=O)nc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2/c1-15-6-4-5(2-3-14)12-7(13-6)8(9,10)11/h3-4H,2H2,1H3
InChIKeyOUSKEIKRXLKUBW-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.25
Rot. Bonds3

About 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde

2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde (PubChem CID 83889194) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde
PubChem CID83889194
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde
SMILESCOc1cc(CC=O)nc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2/c1-15-6-4-5(2-3-14)12-7(13-6)8(9,10)11/h3-4H,2H2,1H3
InChIKeyOUSKEIKRXLKUBW-UHFFFAOYSA-N
XLogP1.25
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(1,4-Dioxaspiro[4.5]decan-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde
CID 89407703
2,4-Dimethoxy-6-(2,2,2-trifluoroethyl)pyrimidine
CID 89774049
4-Ethyl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine
CID 123237567
(2S)-2-fluoro-2-(5-fluoro-6-methoxypyrimidin-4-yl)acetaldehyde
CID 154942148
4-(1,1-Difluoroethyl)-6-methoxypyrimidin-2-amine
CID 164908298
2-Chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine
CID 170351722
4-Methoxy-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 171556907
Dimethyl 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propanedioate
CID 177906351
1-[6-Methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone
CID 83889195
2-[6-Methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine
CID 83889810
2-[6-Ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde
CID 83895919
1-[6-Methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-one
CID 83895921

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde?
The IUPAC name of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde (CID 83889194) is 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde.
What is the SMILES notation for 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde?
The canonical SMILES for 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde is COc1cc(CC=O)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde?
The InChIKey is OUSKEIKRXLKUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-15-6-4-5(2-3-14)12-7(13-6)8(9,10)11/h3-4H,2H2,1H3.
What are the key properties of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde?
2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde has a molecular weight of 220.15 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]acetaldehyde is sourced from PubChem (CID 83889194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).