3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one

C107H98Cl5F14NO5 — CID 90869038

IUPAC3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(C(=O)c2cc(Cl)cc(Cl)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(Cc2cc(Cl)cc(Cl)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(Cc2ccc(F)cc2F)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(Cc2cnccc2Cl)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C27H23Cl2F3O2.C27H25Cl2F3O.C27H25F5O.C26H25ClF3NO/c1-15(2)8-25(16(3)33)19-9-18(17-4-6-22(7-5-17)27(30,31)32)10-20(11-19)26(34)21-12-23(28)14-24(29)13-21;1-16(2)8-26(17(3)33)22-11-18(9-19-12-24(28)15-25(29)13-19)10-21(14-22)20-4-6-23(7-5-20)27(30,31)32;1-16(2)10-25(17(3)33)22-13-18(11-20-6-9-24(28)15-26(20)29)12-21(14-22)19-4-7-23(8-5-19)27(30,31)32;1-16(2)10-24(17(3)32)21-12-18(13-22-15-31-9-8-25(22)27)11-20(14-21)19-4-6-23(7-5-19)26(28,29)30/h4-7,9-15,25H,8H2,1-3H3;4-7,10-16,26H,8-9H2,1-3H3;4-9,12-16,25H,10-11H2,1-3H3;4-9,11-12,14-16,24H,10,13H2,1-3H3
InChIKeyLFRCHYAYFNNQAQ-UHFFFAOYSA-N
MW1921.20 g/mol
LogP33.31
Rot. Bonds28

About 3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one

3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one (PubChem CID 90869038) has the molecular formula C107H98Cl5F14NO5 and a molecular weight of 1921.20 g/mol. Its IUPAC name is 3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one.

Molecular Properties

Compound Name3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one
PubChem CID90869038
Molecular FormulaC107H98Cl5F14NO5
Molecular Weight1921.20 g/mol
Exact Mass1917.57
IUPAC Name3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(C(=O)c2cc(Cl)cc(Cl)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(Cc2cc(Cl)cc(Cl)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(Cc2ccc(F)cc2F)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(Cc2cnccc2Cl)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C27H23Cl2F3O2.C27H25Cl2F3O.C27H25F5O.C26H25ClF3NO/c1-15(2)8-25(16(3)33)19-9-18(17-4-6-22(7-5-17)27(30,31)32)10-20(11-19)26(34)21-12-23(28)14-24(29)13-21;1-16(2)8-26(17(3)33)22-11-18(9-19-12-24(28)15-25(29)13-19)10-21(14-22)20-4-6-23(7-5-20)27(30,31)32;1-16(2)10-25(17(3)33)22-13-18(11-20-6-9-24(28)15-26(20)29)12-21(14-22)19-4-7-23(8-5-19)27(30,31)32;1-16(2)10-24(17(3)32)21-12-18(13-22-15-31-9-8-25(22)27)11-20(14-21)19-4-6-23(7-5-19)26(28,29)30/h4-7,9-15,25H,8H2,1-3H3;4-7,10-16,26H,8-9H2,1-3H3;4-9,12-16,25H,10-11H2,1-3H3;4-9,11-12,14-16,24H,10,13H2,1-3H3
InChIKeyLFRCHYAYFNNQAQ-UHFFFAOYSA-N
XLogP33.31
TPSA98.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001921.20
LogP ≤ 533.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one with MolForge

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Related Compounds

4-[4-(4-Chlorophenyl)-4-pyridin-4-ylcyclohexyl]-1-(4-fluorophenyl)butan-1-one
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CID 24737788
N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(2-chloropyridin-4-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 24737789
Bis[2-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)phenyl]methanone
CID 53692870
3-[3-[(4-Chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one
CID 57666241
1-(4-Chloro-3',5'-difluoro-5-methyl-6-pyridin-4-ylbiphenyl-2-yl)ethanone
CID 86666812
N-[(6-chloropyridin-3-yl)methyl]-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]-N,2-dimethylbenzamide
CID 89308787
N-[(6-chloropyridin-3-yl)methyl]-4-[(E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl]-2-methylbenzamide
CID 89309729
N-[(2-chloropyridin-4-yl)methyl]-4-[(E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl]-2-methylbenzamide
CID 89309735
N-[(2-chloropyridin-3-yl)methyl]-4-[(E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl]-2-ethylbenzamide
CID 89309768
N-[(6-chloropyridin-3-yl)methyl]-4-[(E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl]-2-ethylbenzamide
CID 89309799
N-[(2-chloro-4-pyridinyl)methyl]-4-[3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl]-2-methylbenzamide
CID 123323422

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one?
The IUPAC name of 3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one (CID 90869038) is 3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one.
What is the SMILES notation for 3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one?
The canonical SMILES for 3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one is CC(=O)C(CC(C)C)c1cc(C(=O)c2cc(Cl)cc(Cl)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(Cc2cc(Cl)cc(Cl)c2)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(Cc2ccc(F)cc2F)cc(-c2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(Cc2cnccc2Cl)cc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one?
The InChIKey is LFRCHYAYFNNQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2F3O2.C27H25Cl2F3O.C27H25F5O.C26H25ClF3NO/c1-15(2)8-25(16(3)33)19-9-18(17-4-6-22(7-5-17)27(30,31)32)10-20(11-19)26(34)21-12-23(28)14-24(29)13-21;1-16(2)8-26(17(3)33)22-11-18(9-19-12-24(28)15-25(29)13-19)10-21(14-22)20-4-6-23(7-5-20)27(30,31)32;1-16(2)10-25(17(3)33)22-13-18(11-20-6-9-24(28)15-26(20)29)12-21(14-22)19-4-7-23(8-5-19)27(30,31)32;1-16(2)10-24(17(3)32)21-12-18(13-22-15-31-9-8-25(22)27)11-20(14-21)19-4-6-23(7-5-19)26(28,29)30/h4-7,9-15,25H,8H2,1-3H3;4-7,10-16,26H,8-9H2,1-3H3;4-9,12-16,25H,10-11H2,1-3H3;4-9,11-12,14-16,24H,10,13H2,1-3H3.
What are the key properties of 3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one?
3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one has a molecular weight of 1921.20 g/mol, XLogP of 33.31, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-chloro-3-pyridinyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3,5-dichlorobenzoyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(3,5-dichlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[(2,4-difluorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one is sourced from PubChem (CID 90869038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).