6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one

C16H9ClF3N3O2 — CID 136964782

IUPAC6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
SMILESO=c1nc(-c2ccc(C(F)(F)F)cc2)nc(-c2c(O)cccc2Cl)[nH]1
InChIInChI=1S/C16H9ClF3N3O2/c17-10-2-1-3-11(24)12(10)14-21-13(22-15(25)23-14)8-4-6-9(7-5-8)16(18,19)20/h1-7,24H,(H,21,22,23,25)
InChIKeyRHELEXVAKVZLEX-UHFFFAOYSA-N
MW367.71 g/mol
LogP3.88
Rot. Bonds2

About 6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one

6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one (PubChem CID 136964782) has the molecular formula C16H9ClF3N3O2 and a molecular weight of 367.71 g/mol. Its IUPAC name is 6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
PubChem CID136964782
Molecular FormulaC16H9ClF3N3O2
Molecular Weight367.71 g/mol
Exact Mass367.03
IUPAC Name6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
SMILESO=c1nc(-c2ccc(C(F)(F)F)cc2)nc(-c2c(O)cccc2Cl)[nH]1
InChIInChI=1S/C16H9ClF3N3O2/c17-10-2-1-3-11(24)12(10)14-21-13(22-15(25)23-14)8-4-6-9(7-5-8)16(18,19)20/h1-7,24H,(H,21,22,23,25)
InChIKeyRHELEXVAKVZLEX-UHFFFAOYSA-N
XLogP3.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.71
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloro-6-propoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
CID 136964785
6-(2-chloro-5-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
CID 136964681
[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl acetate
CID 136964694
4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzoic acid
CID 136964683
N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-methylpropane-2-sulfonamide
CID 167305122
2-[2-chloro-6-(2,2,2-trifluoroethoxy)phenyl]-5-ethyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 162565070
6-(4-hydroxyphenyl)-4-phenyl-1H-1,3,5-triazin-2-one
CID 156780127
N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]cyclopentanesulfonamide
CID 136964943
4,6-diphenyl-1H-1,3,5-triazin-2-one
CID 135427225
(E)-3-[3-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]prop-2-enoic acid
CID 134622267
4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole
CID 146049709
4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135966488

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one (CID 136964782) is 6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one is O=c1nc(-c2ccc(C(F)(F)F)cc2)nc(-c2c(O)cccc2Cl)[nH]1.
What is the InChIKey of 6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The InChIKey is RHELEXVAKVZLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3O2/c17-10-2-1-3-11(24)12(10)14-21-13(22-15(25)23-14)8-4-6-9(7-5-8)16(18,19)20/h1-7,24H,(H,21,22,23,25).
What are the key properties of 6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one has a molecular weight of 367.71 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 136964782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).