2-propoxy-4-(trifluoromethyl)pyrimidine

C8H9F3N2O — CID 139755975

IUPAC2-propoxy-4-(trifluoromethyl)pyrimidine
SMILESCCCOc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-2-5-14-7-12-4-3-6(13-7)8(9,10)11/h3-4H,2,5H2,1H3
InChIKeyXTKNVNUMWMQZCV-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.28
Rot. Bonds3

About 2-propoxy-4-(trifluoromethyl)pyrimidine

2-propoxy-4-(trifluoromethyl)pyrimidine (PubChem CID 139755975) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-propoxy-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-propoxy-4-(trifluoromethyl)pyrimidine
PubChem CID139755975
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-propoxy-4-(trifluoromethyl)pyrimidine
SMILESCCCOc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-2-5-14-7-12-4-3-6(13-7)8(9,10)11/h3-4H,2,5H2,1H3
InChIKeyXTKNVNUMWMQZCV-UHFFFAOYSA-N
XLogP2.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-propoxy-4-(trifluoromethyl)pyrimidine (CID 139755975) is 2-propoxy-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-propoxy-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-propoxy-4-(trifluoromethyl)pyrimidine is CCCOc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-propoxy-4-(trifluoromethyl)pyrimidine?
The InChIKey is XTKNVNUMWMQZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-2-5-14-7-12-4-3-6(13-7)8(9,10)11/h3-4H,2,5H2,1H3.
What are the key properties of 2-propoxy-4-(trifluoromethyl)pyrimidine?
2-propoxy-4-(trifluoromethyl)pyrimidine has a molecular weight of 206.17 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 139755975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).