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

C6H6ClF3N4O — CID 103213748

IUPAC4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(COCC(F)(F)F)n1
InChIInChI=1S/C6H6ClF3N4O/c7-4-12-3(13-5(11)14-4)1-15-2-6(8,9)10/h1-2H2,(H2,11,12,13,14)
InChIKeyCCROXEJXWCQWCF-UHFFFAOYSA-N
MW242.59 g/mol
LogP1.19
Rot. Bonds3

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

4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103213748) has the molecular formula C6H6ClF3N4O and a molecular weight of 242.59 g/mol. Its IUPAC name is 4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103213748
Molecular FormulaC6H6ClF3N4O
Molecular Weight242.59 g/mol
Exact Mass242.02
IUPAC Name4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(COCC(F)(F)F)n1
InChIInChI=1S/C6H6ClF3N4O/c7-4-12-3(13-5(11)14-4)1-15-2-6(8,9)10/h1-2H2,(H2,11,12,13,14)
InChIKeyCCROXEJXWCQWCF-UHFFFAOYSA-N
XLogP1.19
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.59
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 141834652
4-Chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103213749
4-Chloro-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103213750
4-Methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476928
4-Methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
CID 103476929
4-(2,2,2-Trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476930
4-Ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476932
6-(2,2,2-Trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine
CID 104932534
4-Ethyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
CID 113820086
4-Propyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 113820087
6-(Methoxymethyl)-1,3,5-triazine-2,4-diamine
CID 10844617
4-Chloro-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 91077565

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (CID 103213748) is 4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(COCC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is CCROXEJXWCQWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N4O/c7-4-12-3(13-5(11)14-4)1-15-2-6(8,9)10/h1-2H2,(H2,11,12,13,14).
What are the key properties of 4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 242.59 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103213748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).