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

C24H16F6N4O2 — CID 58040449

IUPAC4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C24H16F6N4O2/c25-23(26,27)14-35-22-33-20(15-9-11-19(12-10-15)36-18-7-2-1-3-8-18)32-21(34-22)31-17-6-4-5-16(13-17)24(28,29)30/h1-13H,14H2,(H,31,32,33,34)
InChIKeyPVRRFFUWTPSBDH-UHFFFAOYSA-N
MW506.41 g/mol
LogP7.03
Rot. Bonds7

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

4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 58040449) has the molecular formula C24H16F6N4O2 and a molecular weight of 506.41 g/mol. Its IUPAC name is 4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID58040449
Molecular FormulaC24H16F6N4O2
Molecular Weight506.41 g/mol
Exact Mass506.12
IUPAC Name4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C24H16F6N4O2/c25-23(26,27)14-35-22-33-20(15-9-11-19(12-10-15)36-18-7-2-1-3-8-18)32-21(34-22)31-17-6-4-5-16(13-17)24(28,29)30/h1-13H,14H2,(H,31,32,33,34)
InChIKeyPVRRFFUWTPSBDH-UHFFFAOYSA-N
XLogP7.03
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.41
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 88586086
4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 76670542
methyl 4-[4-ethoxy-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]benzoate
CID 58040354
4-propan-2-yl-N-[3-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]phenyl]benzamide
CID 87237352
4-N-[[4-(3-fluorophenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 58040049
3-cyano-N-[3-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]phenyl]benzamide
CID 87237333
4-N-[(4-iodophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 162601082
N-[3-[4-[3-(1,1-difluoro-2-methylpropyl)anilino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]phenyl]methanesulfonamide
CID 162601089
4-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58039731
N-methyl-2-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]acetamide
CID 87237332
[4-(2-methylpropyl)piperazin-1-yl]-[3-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]phenyl]methanone
CID 58040293
4-N-[(1-fluoro-5-phenylcyclohexa-2,4-dien-1-yl)methyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 143835304

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 58040449) is 4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is FC(F)(F)COc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is PVRRFFUWTPSBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N4O2/c25-23(26,27)14-35-22-33-20(15-9-11-19(12-10-15)36-18-7-2-1-3-8-18)32-21(34-22)31-17-6-4-5-16(13-17)24(28,29)30/h1-13H,14H2,(H,31,32,33,34).
What are the key properties of 4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 506.41 g/mol, XLogP of 7.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58040449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).