4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine

C8H8ClF3N2O — CID 149188111

IUPAC4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine
SMILESCC(F)C(F)(F)COc1cc(Cl)ncn1
InChIInChI=1S/C8H8ClF3N2O/c1-5(10)8(11,12)3-15-7-2-6(9)13-4-14-7/h2,4-5H,3H2,1H3
InChIKeyXCGPGDOOXVJBPK-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.50
Rot. Bonds4

About 4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine

4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine (PubChem CID 149188111) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine
PubChem CID149188111
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine
SMILESCC(F)C(F)(F)COc1cc(Cl)ncn1
InChIInChI=1S/C8H8ClF3N2O/c1-5(10)8(11,12)3-15-7-2-6(9)13-4-14-7/h2,4-5H,3H2,1H3
InChIKeyXCGPGDOOXVJBPK-UHFFFAOYSA-N
XLogP2.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine (CID 149188111) is 4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine is CC(F)C(F)(F)COc1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine?
The InChIKey is XCGPGDOOXVJBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c1-5(10)8(11,12)3-15-7-2-6(9)13-4-14-7/h2,4-5H,3H2,1H3.
What are the key properties of 4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine?
4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine has a molecular weight of 240.61 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,2,3-trifluorobutoxy)pyrimidine is sourced from PubChem (CID 149188111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).