N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C18H14F4N4O — CID 58039511

IUPACN-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESFc1ccc(CNc2nc(OCC(F)(F)F)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H14F4N4O/c19-14-8-6-12(7-9-14)10-23-16-24-15(13-4-2-1-3-5-13)25-17(26-16)27-11-18(20,21)22/h1-9H,10-11H2,(H,23,24,25,26)
InChIKeyUNEUORXZAYDCDF-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.23
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 58039511) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID58039511
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC NameN-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESFc1ccc(CNc2nc(OCC(F)(F)F)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H14F4N4O/c19-14-8-6-12(7-9-14)10-23-16-24-15(13-4-2-1-3-5-13)25-17(26-16)27-11-18(20,21)22/h1-9H,10-11H2,(H,23,24,25,26)
InChIKeyUNEUORXZAYDCDF-UHFFFAOYSA-N
XLogP4.23
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 1248583
2-N,4-N-bis(but-3-enyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 117817328
4-Amino-2-benzylamino-6-phenyl-1,3,5-triazine
CID 892542
4-Butoxy-6-phenyl-1,3,5-triazin-2-amine
CID 2256009
2-Trifluoromethyl-4,6-diphenyl-1,3,5-triazine
CID 12535292
N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 76312352
2-N-benzyl-6-(3,4-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 39756638
2-N-benzyl-6-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 39826512
N'-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]pentane-1,5-diamine
CID 46232292
2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 155539485
2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 155547051
6-[2-(aminomethyl)phenyl]-2-N-benzyl-1,3,5-triazine-2,4-diamine
CID 155553420

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 58039511) is N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is Fc1ccc(CNc2nc(OCC(F)(F)F)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is UNEUORXZAYDCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c19-14-8-6-12(7-9-14)10-23-16-24-15(13-4-2-1-3-5-13)25-17(26-16)27-11-18(20,21)22/h1-9H,10-11H2,(H,23,24,25,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 378.33 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58039511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).