4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine

C7H5Cl2F3N2O — CID 103473548

IUPAC4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESFC(F)(F)COCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H5Cl2F3N2O/c8-4-1-5(9)14-6(13-4)2-15-3-7(10,11)12/h1H,2-3H2
InChIKeyKZTBDFKDDYUZJX-UHFFFAOYSA-N
MW261.03 g/mol
LogP2.86
Rot. Bonds3

About 4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine

4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (PubChem CID 103473548) has the molecular formula C7H5Cl2F3N2O and a molecular weight of 261.03 g/mol. Its IUPAC name is 4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
PubChem CID103473548
Molecular FormulaC7H5Cl2F3N2O
Molecular Weight261.03 g/mol
Exact Mass259.97
IUPAC Name4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESFC(F)(F)COCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H5Cl2F3N2O/c8-4-1-5(9)14-6(13-4)2-15-3-7(10,11)12/h1H,2-3H2
InChIKeyKZTBDFKDDYUZJX-UHFFFAOYSA-N
XLogP2.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.03
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dichloro-2-trifluoromethylpyrimidine
CID 15713197
4,6-Dichloro-2-ethoxypyrimidine
CID 9837015
4,6-Dichloro-2-(heptafluoropropyl)pyrimidine
CID 33727272
(4,6-Dichloropyrimidin-2-yl)methanol
CID 45480396
4,6-Dichloro-2-(methoxymethyl)pyrimidine
CID 53438121
6-Chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 55264672
4,6-Dichloro-2-(2,2,2-trifluoroethyl)pyrimidine
CID 63612269
4,6-Dichloro-2-(ethoxymethyl)pyrimidine
CID 65669367
4,6-Dichloro-2-(fluoromethyl)pyrimidine
CID 89666875
4,6-Dichloro-2-(1-methoxyethyl)pyrimidine
CID 79617116
4,6-Dichloro-2-(3,3,3-trifluoropropyl)pyrimidine
CID 79952864
6-Chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 104335768

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (CID 103473548) is 4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is FC(F)(F)COCc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The InChIKey is KZTBDFKDDYUZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2O/c8-4-1-5(9)14-6(13-4)2-15-3-7(10,11)12/h1H,2-3H2.
What are the key properties of 4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine has a molecular weight of 261.03 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is sourced from PubChem (CID 103473548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).