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

C6H7F3N4O — CID 103476930

IUPAC4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(COCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)2-14-1-4-11-3-12-5(10)13-4/h3H,1-2H2,(H2,10,11,12,13)
InChIKeyWNTVJWZQRXSUKE-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.53
Rot. Bonds3

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

4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476930) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476930
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(COCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)2-14-1-4-11-3-12-5(10)13-4/h3H,1-2H2,(H2,10,11,12,13)
InChIKeyWNTVJWZQRXSUKE-UHFFFAOYSA-N
XLogP0.53
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Methoxymethyl)-1,3,5-triazine
CID 23080878
4-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151153
4-[2-(2,2-Difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151154
4-Chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103213748
4-Methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476928
4-(2,2,3,3-Tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
CID 103476931
6-(2,2,2-Trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine
CID 104932534
4-(Propan-2-yloxymethyl)-1,3,5-triazin-2-amine
CID 53822668
(4-Amino-1,3,5-triazin-2-yl)methanol
CID 53923139
4-(2-Methylpropoxymethyl)-1,3,5-triazin-2-amine
CID 53946457
4-(Butoxymethyl)-1,3,5-triazin-2-amine
CID 53966272
4-(Ethoxymethyl)-1,3,5-triazin-2-amine
CID 54108199

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (CID 103476930) is 4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is Nc1ncnc(COCC(F)(F)F)n1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is WNTVJWZQRXSUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c7-6(8,9)2-14-1-4-11-3-12-5(10)13-4/h3H,1-2H2,(H2,10,11,12,13).
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 208.14 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).