2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine

C22H17Cl2F6N3O — CID 17344534

IUPAC2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)N(CC2CCCO2)C(c2ccc(Cl)cc2Cl)=N1
InChIInChI=1S/C22H17Cl2F6N3O/c23-14-8-9-16(17(24)11-14)19-32-20(21(25,26)27,22(28,29)30)31-18(13-5-2-1-3-6-13)33(19)12-15-7-4-10-34-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChIKeyPTIZHDMBSWJWLU-UHFFFAOYSA-N
MW524.29 g/mol
LogP6.50
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine

2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 17344534) has the molecular formula C22H17Cl2F6N3O and a molecular weight of 524.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID17344534
Molecular FormulaC22H17Cl2F6N3O
Molecular Weight524.29 g/mol
Exact Mass523.07
IUPAC Name2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)N(CC2CCCO2)C(c2ccc(Cl)cc2Cl)=N1
InChIInChI=1S/C22H17Cl2F6N3O/c23-14-8-9-16(17(24)11-14)19-32-20(21(25,26)27,22(28,29)30)31-18(13-5-2-1-3-6-13)33(19)12-15-7-4-10-34-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChIKeyPTIZHDMBSWJWLU-UHFFFAOYSA-N
XLogP6.50
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.29
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344615
1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine
CID 92759546
1-benzyl-2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344391
3-(2,4-dichlorophenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
CID 110567950
3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole
CID 167764143
3-(2,4-dichlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
CID 110567937
1-(oxolan-2-ylmethyl)-2,4,5-triphenylimidazole
CID 102110360
N-(5-chloro-2-fluorophenyl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 46688500
4-[5-[(4-chlorophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-2-phenylquinoline
CID 46089700
N-(2,5-dichlorophenyl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 46688541
2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
CID 42578725
5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 46310061

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine (CID 17344534) is 2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine is FC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)N(CC2CCCO2)C(c2ccc(Cl)cc2Cl)=N1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is PTIZHDMBSWJWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F6N3O/c23-14-8-9-16(17(24)11-14)19-32-20(21(25,26)27,22(28,29)30)31-18(13-5-2-1-3-6-13)33(19)12-15-7-4-10-34-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 524.29 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 17344534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).