2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine

C9H11F3N2O2 — CID 90124983

IUPAC2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCCCOc1nccc(OCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2/c1-2-5-15-8-13-4-3-7(14-8)16-6-9(10,11)12/h3-4H,2,5-6H2,1H3
InChIKeyUSMADMRVLQKPHN-UHFFFAOYSA-N
MW236.19 g/mol
LogP2.21
Rot. Bonds5

About 2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine

2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 90124983) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID90124983
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCCCOc1nccc(OCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2/c1-2-5-15-8-13-4-3-7(14-8)16-6-9(10,11)12/h3-4H,2,5-6H2,1H3
InChIKeyUSMADMRVLQKPHN-UHFFFAOYSA-N
XLogP2.21
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine (CID 90124983) is 2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine is CCCOc1nccc(OCC(F)(F)F)n1.
What is the InChIKey of 2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is USMADMRVLQKPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-2-5-15-8-13-4-3-7(14-8)16-6-9(10,11)12/h3-4H,2,5-6H2,1H3.
What are the key properties of 2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine?
2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 236.19 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-4-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 90124983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).