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

C12H17F3N4O — CID 103476942

IUPAC4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)F)nc(C2CCCCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)7-20-6-9-17-10(19-11(16)18-9)8-4-2-1-3-5-8/h8H,1-7H2,(H2,16,17,18,19)
InChIKeyKRSVTLUKBIWLLE-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.58
Rot. Bonds4

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

4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476942) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476942
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)F)nc(C2CCCCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)7-20-6-9-17-10(19-11(16)18-9)8-4-2-1-3-5-8/h8H,1-7H2,(H2,16,17,18,19)
InChIKeyKRSVTLUKBIWLLE-UHFFFAOYSA-N
XLogP2.58
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964781
4-Cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151163
4-Cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151164
4-Cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151165
4-Cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151166
4-Cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151169
4-Cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476940
4-Cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
CID 103476941
4-Cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476944
4-Cyclohexyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 55251815
4-Cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
CID 55252116
4-Cyclohexyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 63868494

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (CID 103476942) is 4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is Nc1nc(COCC(F)(F)F)nc(C2CCCCC2)n1.
What is the InChIKey of 4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is KRSVTLUKBIWLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)7-20-6-9-17-10(19-11(16)18-9)8-4-2-1-3-5-8/h8H,1-7H2,(H2,16,17,18,19).
What are the key properties of 4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 290.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).