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

C7H6ClF3N2O — CID 106766587

IUPAC4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine
SMILESCCOc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C7H6ClF3N2O/c1-2-14-5-3-4(8)12-6(13-5)7(9,10)11/h3H,2H2,1H3
InChIKeyRKFRRXKTTLDUJB-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.55
Rot. Bonds2

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

4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine (PubChem CID 106766587) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.58 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine
PubChem CID106766587
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.58 g/mol
Exact Mass226.01
IUPAC Name4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine
SMILESCCOc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C7H6ClF3N2O/c1-2-14-5-3-4(8)12-6(13-5)7(9,10)11/h3H,2H2,1H3
InChIKeyRKFRRXKTTLDUJB-UHFFFAOYSA-N
XLogP2.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine
CID 170577812
4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine
CID 106766638
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine
CID 106766758
4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
CID 106766872
4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766697
ethyl 4-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]butanoate
CID 106767911
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 106767345
4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766711
4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766742
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766656
4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768685

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine (CID 106766587) is 4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine is CCOc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine?
The InChIKey is RKFRRXKTTLDUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c1-2-14-5-3-4(8)12-6(13-5)7(9,10)11/h3H,2H2,1H3.
What are the key properties of 4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine?
4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine has a molecular weight of 226.58 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).