1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol

C20H16F6N4O3 — CID 132937880

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol
SMILESCOc1nc(Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc(Oc2cccc(C)c2)n1
InChIInChI=1S/C20H16F6N4O3/c1-11-4-3-5-14(10-11)33-17-29-15(28-16(30-17)32-2)27-13-8-6-12(7-9-13)18(31,19(21,22)23)20(24,25)26/h3-10,31H,1-2H3,(H,27,28,29,30)
InChIKeySLQAGAGMTBDCPX-UHFFFAOYSA-N
MW474.36 g/mol
LogP5.04
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol (PubChem CID 132937880) has the molecular formula C20H16F6N4O3 and a molecular weight of 474.36 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol
PubChem CID132937880
Molecular FormulaC20H16F6N4O3
Molecular Weight474.36 g/mol
Exact Mass474.11
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol
SMILESCOc1nc(Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc(Oc2cccc(C)c2)n1
InChIInChI=1S/C20H16F6N4O3/c1-11-4-3-5-14(10-11)33-17-29-15(28-16(30-17)32-2)27-13-8-6-12(7-9-13)18(31,19(21,22)23)20(24,25)26/h3-10,31H,1-2H3,(H,27,28,29,30)
InChIKeySLQAGAGMTBDCPX-UHFFFAOYSA-N
XLogP5.04
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.36
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-N-[4-(trifluoromethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
CID 145985337
4-[[4-Amino-6-(2,3,5,6-tetrafluoro-4-hydroxy-phenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505535
2-N,2-N-diethyl-6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 117092076
6-ethoxy-4-N-[(3-methoxyphenyl)methyl]-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 58039321
4-N-[(3-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 58039357
6-(2,2,2-trifluoroethoxy)-2-N-[3-(2,2,2-trifluoroethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 58039471
4-N-[[4-(3-methoxyphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 58039663
4-N-[[4-(4-methoxyphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 58039991
4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040057
4-[[[4-(3-Prop-2-enoxyanilino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]methyl]phenol
CID 67283526
4-[1-[[4-(3-Prop-2-enoxyanilino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]cyclopropyl]phenol
CID 67283589
4-N-(3-prop-2-enoxyphenyl)-2-N-[1-(4-prop-2-enoxyphenyl)cyclopropyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 67283672

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol (CID 132937880) is 1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol is COc1nc(Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc(Oc2cccc(C)c2)n1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol?
The InChIKey is SLQAGAGMTBDCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N4O3/c1-11-4-3-5-14(10-11)33-17-29-15(28-16(30-17)32-2)27-13-8-6-12(7-9-13)18(31,19(21,22)23)20(24,25)26/h3-10,31H,1-2H3,(H,27,28,29,30).
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol has a molecular weight of 474.36 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol is sourced from PubChem (CID 132937880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).