6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine

C15H17F4N5O — CID 15022780

IUPAC6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(COc1cccc(C(F)(F)F)c1)Nc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C15H17F4N5O/c1-8(21-14-23-12(9(2)16)22-13(20)24-14)7-25-11-5-3-4-10(6-11)15(17,18)19/h3-6,8-9H,7H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyXIAOKDUOTVONBL-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.38
Rot. Bonds6

About 6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine

6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 15022780) has the molecular formula C15H17F4N5O and a molecular weight of 359.33 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID15022780
Molecular FormulaC15H17F4N5O
Molecular Weight359.33 g/mol
Exact Mass359.14
IUPAC Name6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(COc1cccc(C(F)(F)F)c1)Nc1nc(N)nc(C(C)F)n1
InChIInChI=1S/C15H17F4N5O/c1-8(21-14-23-12(9(2)16)22-13(20)24-14)7-25-11-5-3-4-10(6-11)15(17,18)19/h3-6,8-9H,7H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyXIAOKDUOTVONBL-UHFFFAOYSA-N
XLogP3.38
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-methyl-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393053
4-[(3-Methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155547693
Triaziflam
CID 10947588
4-[1-[2-Fluoro-5-(trifluoromethyl)phenoxy]ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 177372237
4-[1-[2-Fluoro-5-(trifluoromethyl)phenoxy]propyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 177372238
4-[1-[5-Fluoro-2-(trifluoromethyl)phenoxy]ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 177372239
4-[1-[5-Fluoro-2-(trifluoromethyl)phenoxy]propyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 177372240
4-[1-[2,5-Bis(trifluoromethyl)phenoxy]ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 177372241
4-[1-[2,5-Bis(trifluoromethyl)phenoxy]propyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 177372242
6-[(3,4-dimethylphenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 676259
6-[(1S)-1-[2-(3,5-dimethylphenoxy)ethyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 25987660
[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[3-(trifluoromethyl)phenoxy]acetate
CID 32274819

Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 15022780) is 6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine is CC(COc1cccc(C(F)(F)F)c1)Nc1nc(N)nc(C(C)F)n1.
What is the InChIKey of 6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XIAOKDUOTVONBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N5O/c1-8(21-14-23-12(9(2)16)22-13(20)24-14)7-25-11-5-3-4-10(6-11)15(17,18)19/h3-6,8-9H,7H2,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine?
6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 359.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-2-N-[1-[3-(trifluoromethyl)phenoxy]propan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15022780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).