[4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol

C8H9F6N5O — CID 23198945

IUPAC[4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol
SMILESOCc1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1
InChIInChI=1S/C8H9F6N5O/c9-7(10,11)2-15-5-17-4(1-20)18-6(19-5)16-3-8(12,13)14/h20H,1-3H2,(H2,15,16,17,18,19)
InChIKeyJFZGAPUNZBBCAC-UHFFFAOYSA-N
MW305.18 g/mol
LogP1.31
Rot. Bonds5

About [4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol

[4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol (PubChem CID 23198945) has the molecular formula C8H9F6N5O and a molecular weight of 305.18 g/mol. Its IUPAC name is [4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol.

Molecular Properties

Compound Name[4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol
PubChem CID23198945
Molecular FormulaC8H9F6N5O
Molecular Weight305.18 g/mol
Exact Mass305.07
IUPAC Name[4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol
SMILESOCc1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1
InChIInChI=1S/C8H9F6N5O/c9-7(10,11)2-15-5-17-4(1-20)18-6(19-5)16-3-8(12,13)14/h20H,1-3H2,(H2,15,16,17,18,19)
InChIKeyJFZGAPUNZBBCAC-UHFFFAOYSA-N
XLogP1.31
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Ethanol, 2-((4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl)amino)-
CID 3041948
2-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 21741836
1-[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 88501029
[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 88503485
2-[[4-(2-Hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol
CID 22225
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857860
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864972
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485352
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485609
3-[(4-Amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol
CID 112746430
2-[[4-Methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 20707477
2-[(4-Amino-6-methyl-1,3,5-triazin-2-yl)amino]ethan-1-ol
CID 71334192

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol?
The IUPAC name of [4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol (CID 23198945) is [4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol.
What is the SMILES notation for [4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol?
The canonical SMILES for [4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol is OCc1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1.
What is the InChIKey of [4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol?
The InChIKey is JFZGAPUNZBBCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6N5O/c9-7(10,11)2-15-5-17-4(1-20)18-6(19-5)16-3-8(12,13)14/h20H,1-3H2,(H2,15,16,17,18,19).
What are the key properties of [4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol?
[4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol has a molecular weight of 305.18 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]methanol is sourced from PubChem (CID 23198945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).