4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine

C13H19F3N4O — CID 103476944

IUPAC4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)F)nc(C2CCCCCC2)n1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)8-21-7-10-18-11(20-12(17)19-10)9-5-3-1-2-4-6-9/h9H,1-8H2,(H2,17,18,19,20)
InChIKeyJIOUWCZLNBAQTC-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.97
Rot. Bonds4

About 4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine

4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476944) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476944
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)F)nc(C2CCCCCC2)n1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)8-21-7-10-18-11(20-12(17)19-10)9-5-3-1-2-4-6-9/h9H,1-8H2,(H2,17,18,19,20)
InChIKeyJIOUWCZLNBAQTC-UHFFFAOYSA-N
XLogP2.97
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (CID 103476944) is 4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is Nc1nc(COCC(F)(F)F)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is JIOUWCZLNBAQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c14-13(15,16)8-21-7-10-18-11(20-12(17)19-10)9-5-3-1-2-4-6-9/h9H,1-8H2,(H2,17,18,19,20).
What are the key properties of 4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 304.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).