3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one

C107H101ClF16O4 — CID 161139886

IUPAC3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(-c2ccc(C(C)C)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(F)cc(F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(F)cc2F)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C29H31F3O.C26H24ClF3O.2C26H23F5O/c1-18(2)14-28(20(5)33)26-16-24(22-8-6-21(7-9-22)19(3)4)15-25(17-26)23-10-12-27(13-11-23)29(30,31)32;1-16(2)12-25(17(3)31)22-14-20(18-4-8-23(9-5-18)26(28,29)30)13-21(15-22)19-6-10-24(27)11-7-19;1-15(2)8-25(16(3)32)21-10-18(17-4-6-22(7-5-17)26(29,30)31)9-19(11-21)20-12-23(27)14-24(28)13-20;1-15(2)10-24(16(3)32)20-12-18(17-4-6-21(7-5-17)26(29,30)31)11-19(13-20)23-9-8-22(27)14-25(23)28/h6-13,15-19,28H,14H2,1-5H3;4-11,13-16,25H,12H2,1-3H3;4-7,9-15,25H,8H2,1-3H3;4-9,11-15,24H,10H2,1-3H3
InChIKeyUNHJBADJTZDROE-UHFFFAOYSA-N
MW1790.40 g/mol
LogP33.37
Rot. Bonds25

About 3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one

3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one (PubChem CID 161139886) has the molecular formula C107H101ClF16O4 and a molecular weight of 1790.40 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one
PubChem CID161139886
Molecular FormulaC107H101ClF16O4
Molecular Weight1790.40 g/mol
Exact Mass1788.71
IUPAC Name3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(-c2ccc(C(C)C)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(F)cc(F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(F)cc2F)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C29H31F3O.C26H24ClF3O.2C26H23F5O/c1-18(2)14-28(20(5)33)26-16-24(22-8-6-21(7-9-22)19(3)4)15-25(17-26)23-10-12-27(13-11-23)29(30,31)32;1-16(2)12-25(17(3)31)22-14-20(18-4-8-23(9-5-18)26(28,29)30)13-21(15-22)19-6-10-24(27)11-7-19;1-15(2)8-25(16(3)32)21-10-18(17-4-6-22(7-5-17)26(29,30)31)9-19(11-21)20-12-23(27)14-24(28)13-20;1-15(2)10-24(16(3)32)20-12-18(17-4-6-21(7-5-17)26(29,30)31)11-19(13-20)23-9-8-22(27)14-25(23)28/h6-13,15-19,28H,14H2,1-5H3;4-11,13-16,25H,12H2,1-3H3;4-7,9-15,25H,8H2,1-3H3;4-9,11-15,24H,10H2,1-3H3
InChIKeyUNHJBADJTZDROE-UHFFFAOYSA-N
XLogP33.37
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001790.40
LogP ≤ 533.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one?
The IUPAC name of 3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one (CID 161139886) is 3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one?
The canonical SMILES for 3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one is CC(=O)C(CC(C)C)c1cc(-c2ccc(C(C)C)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(F)cc(F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(F)cc2F)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one?
The InChIKey is UNHJBADJTZDROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3O.C26H24ClF3O.2C26H23F5O/c1-18(2)14-28(20(5)33)26-16-24(22-8-6-21(7-9-22)19(3)4)15-25(17-26)23-10-12-27(13-11-23)29(30,31)32;1-16(2)12-25(17(3)31)22-14-20(18-4-8-23(9-5-18)26(28,29)30)13-21(15-22)19-6-10-24(27)11-7-19;1-15(2)8-25(16(3)32)21-10-18(17-4-6-22(7-5-17)26(29,30)31)9-19(11-21)20-12-23(27)14-24(28)13-20;1-15(2)10-24(16(3)32)20-12-18(17-4-6-21(7-5-17)26(29,30)31)11-19(13-20)23-9-8-22(27)14-25(23)28/h6-13,15-19,28H,14H2,1-5H3;4-11,13-16,25H,12H2,1-3H3;4-7,9-15,25H,8H2,1-3H3;4-9,11-15,24H,10H2,1-3H3.
What are the key properties of 3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one?
3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one has a molecular weight of 1790.40 g/mol, XLogP of 33.37, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(2,4-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one is sourced from PubChem (CID 161139886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).