4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C7H9F3N4O — CID 10900193

IUPAC4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-2-3-15-6-13-4(7(8,9)10)12-5(11)14-6/h2-3H2,1H3,(H2,11,12,13,14)
InChIKeyVHLKRYIHEHNBSA-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.26
Rot. Bonds3

About 4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine

4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 10900193) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID10900193
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-2-3-15-6-13-4(7(8,9)10)12-5(11)14-6/h2-3H2,1H3,(H2,11,12,13,14)
InChIKeyVHLKRYIHEHNBSA-UHFFFAOYSA-N
XLogP1.26
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 199948
4-Ethoxy-6-methyl-1,3,5-triazin-2-amine
CID 77490
1,3,5-Triazin-2-amine, 4-ethoxy-6-(trifluoromethyl)-
CID 199947
1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-
CID 121205
1,3,5-Triazin-2-amine, 4-(2-methoxyethoxy)-6-methyl-
CID 3044260
2-Amino-4-difluoromethyl-6-methoxy-1,3,5-triazine
CID 18472023
N,N,4-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 20652999
2-Chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 20702269
4-(2,2-difluoroethoxy)-N,N,6-trimethyl-1,3,5-triazin-2-amine
CID 20713449
N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 123689010
4-Methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 141834652
2-Methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 143789986

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 10900193) is 4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is VHLKRYIHEHNBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-2-3-15-6-13-4(7(8,9)10)12-5(11)14-6/h2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 222.17 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 10900193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).