1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one

C186H249BrCl2F14O17 — CID 159574690

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one
SMILESCC(C)C(=O)CC(C)(C)C.CC(C)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)C(=O)Cc1ccc(Br)cc1.CC(C)C(=O)Cc1ccc(C(C)C)cc1.CC(C)C(=O)Cc1ccc(C(F)(F)F)cc1.CC(C)C(=O)Cc1ccc(Cl)cc1.CC(C)C(=O)Cc1ccc(F)cc1.CC(C)C(=O)Cc1cccc(C(F)(F)F)c1.CC(C)C(=O)Cc1cccc(Cl)c1.CC(C)C(=O)Cc1cccc(F)c1.CC(C)C(=O)Cc1cccc(O)c1.CC1CCC(CC(=O)C(C)C)CC1.CCCC(CCC)C(=O)C(C)C.Cc1cc(C)cc(CC(=O)C(C)C)c1.Cc1ccc(CC(=O)C(C)C)cc1.Cc1cccc(CC(=O)C(C)C)c1
InChIInChI=1S/C14H20O.C13H12F6O.C13H18O.2C12H13F3O.C12H22O.2C12H16O.C11H13BrO.2C11H13ClO.2C11H13FO.C11H14O2.C11H22O.C9H18O/c1-10(2)13-7-5-12(6-8-13)9-14(15)11(3)4;1-7(2)11(20)5-8-3-9(12(14,15)16)6-10(4-8)13(17,18)19;1-9(2)13(14)8-12-6-10(3)5-11(4)7-12;1-8(2)11(16)7-9-3-5-10(6-4-9)12(13,14)15;1-8(2)11(16)7-9-4-3-5-10(6-9)12(13,14)15;2*1-9(2)12(13)8-11-6-4-10(3)5-7-11;1-9(2)12(13)8-11-6-4-5-10(3)7-11;2*1-8(2)11(13)7-9-3-5-10(12)6-4-9;1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-8(2)11(13)7-9-3-5-10(12)6-4-9;2*1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-5-7-10(8-6-2)11(12)9(3)4;1-7(2)8(10)6-9(3,4)5/h5-8,10-11H,9H2,1-4H3;3-4,6-7H,5H2,1-2H3;5-7,9H,8H2,1-4H3;2*3-6,8H,7H2,1-2H3;9-11H,4-8H2,1-3H3;2*4-7,9H,8H2,1-3H3;5*3-6,8H,7H2,1-2H3;3-6,8,12H,7H2,1-2H3;9-10H,5-8H2,1-4H3;7H,6H2,1-5H3
InChIKeyMIGFGXMGIUSSIG-UHFFFAOYSA-N
MW3173.80 g/mol
LogP49.89
Rot. Bonds51

About 1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one

1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one (PubChem CID 159574690) has the molecular formula C186H249BrCl2F14O17 and a molecular weight of 3173.80 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one
PubChem CID159574690
Molecular FormulaC186H249BrCl2F14O17
Molecular Weight3173.80 g/mol
Exact Mass3169.70
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one
SMILESCC(C)C(=O)CC(C)(C)C.CC(C)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)C(=O)Cc1ccc(Br)cc1.CC(C)C(=O)Cc1ccc(C(C)C)cc1.CC(C)C(=O)Cc1ccc(C(F)(F)F)cc1.CC(C)C(=O)Cc1ccc(Cl)cc1.CC(C)C(=O)Cc1ccc(F)cc1.CC(C)C(=O)Cc1cccc(C(F)(F)F)c1.CC(C)C(=O)Cc1cccc(Cl)c1.CC(C)C(=O)Cc1cccc(F)c1.CC(C)C(=O)Cc1cccc(O)c1.CC1CCC(CC(=O)C(C)C)CC1.CCCC(CCC)C(=O)C(C)C.Cc1cc(C)cc(CC(=O)C(C)C)c1.Cc1ccc(CC(=O)C(C)C)cc1.Cc1cccc(CC(=O)C(C)C)c1
InChIInChI=1S/C14H20O.C13H12F6O.C13H18O.2C12H13F3O.C12H22O.2C12H16O.C11H13BrO.2C11H13ClO.2C11H13FO.C11H14O2.C11H22O.C9H18O/c1-10(2)13-7-5-12(6-8-13)9-14(15)11(3)4;1-7(2)11(20)5-8-3-9(12(14,15)16)6-10(4-8)13(17,18)19;1-9(2)13(14)8-12-6-10(3)5-11(4)7-12;1-8(2)11(16)7-9-3-5-10(6-4-9)12(13,14)15;1-8(2)11(16)7-9-4-3-5-10(6-9)12(13,14)15;2*1-9(2)12(13)8-11-6-4-10(3)5-7-11;1-9(2)12(13)8-11-6-4-5-10(3)7-11;2*1-8(2)11(13)7-9-3-5-10(12)6-4-9;1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-8(2)11(13)7-9-3-5-10(12)6-4-9;2*1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-5-7-10(8-6-2)11(12)9(3)4;1-7(2)8(10)6-9(3,4)5/h5-8,10-11H,9H2,1-4H3;3-4,6-7H,5H2,1-2H3;5-7,9H,8H2,1-4H3;2*3-6,8H,7H2,1-2H3;9-11H,4-8H2,1-3H3;2*4-7,9H,8H2,1-3H3;5*3-6,8H,7H2,1-2H3;3-6,8,12H,7H2,1-2H3;9-10H,5-8H2,1-4H3;7H,6H2,1-5H3
InChIKeyMIGFGXMGIUSSIG-UHFFFAOYSA-N
XLogP49.89
TPSA293.35 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds51
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003173.80
LogP ≤ 549.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one (CID 159574690) is 1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one is CC(C)C(=O)CC(C)(C)C.CC(C)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)C(=O)Cc1ccc(Br)cc1.CC(C)C(=O)Cc1ccc(C(C)C)cc1.CC(C)C(=O)Cc1ccc(C(F)(F)F)cc1.CC(C)C(=O)Cc1ccc(Cl)cc1.CC(C)C(=O)Cc1ccc(F)cc1.CC(C)C(=O)Cc1cccc(C(F)(F)F)c1.CC(C)C(=O)Cc1cccc(Cl)c1.CC(C)C(=O)Cc1cccc(F)c1.CC(C)C(=O)Cc1cccc(O)c1.CC1CCC(CC(=O)C(C)C)CC1.CCCC(CCC)C(=O)C(C)C.Cc1cc(C)cc(CC(=O)C(C)C)c1.Cc1ccc(CC(=O)C(C)C)cc1.Cc1cccc(CC(=O)C(C)C)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one?
The InChIKey is MIGFGXMGIUSSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.C13H12F6O.C13H18O.2C12H13F3O.C12H22O.2C12H16O.C11H13BrO.2C11H13ClO.2C11H13FO.C11H14O2.C11H22O.C9H18O/c1-10(2)13-7-5-12(6-8-13)9-14(15)11(3)4;1-7(2)11(20)5-8-3-9(12(14,15)16)6-10(4-8)13(17,18)19;1-9(2)13(14)8-12-6-10(3)5-11(4)7-12;1-8(2)11(16)7-9-3-5-10(6-4-9)12(13,14)15;1-8(2)11(16)7-9-4-3-5-10(6-9)12(13,14)15;2*1-9(2)12(13)8-11-6-4-10(3)5-7-11;1-9(2)12(13)8-11-6-4-5-10(3)7-11;2*1-8(2)11(13)7-9-3-5-10(12)6-4-9;1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-8(2)11(13)7-9-3-5-10(12)6-4-9;2*1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-5-7-10(8-6-2)11(12)9(3)4;1-7(2)8(10)6-9(3,4)5/h5-8,10-11H,9H2,1-4H3;3-4,6-7H,5H2,1-2H3;5-7,9H,8H2,1-4H3;2*3-6,8H,7H2,1-2H3;9-11H,4-8H2,1-3H3;2*4-7,9H,8H2,1-3H3;5*3-6,8H,7H2,1-2H3;3-6,8,12H,7H2,1-2H3;9-10H,5-8H2,1-4H3;7H,6H2,1-5H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one?
1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one has a molecular weight of 3173.80 g/mol, XLogP of 49.89, 51 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-3-methylbutan-2-one;1-(4-bromophenyl)-3-methylbutan-2-one;1-(3-chlorophenyl)-3-methylbutan-2-one;1-(4-chlorophenyl)-3-methylbutan-2-one;1-(3,5-dimethylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(4-fluorophenyl)-3-methylbutan-2-one;1-(3-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(4-methylcyclohexyl)butan-2-one;3-methyl-1-(3-methylphenyl)butan-2-one;3-methyl-1-(4-methylphenyl)butan-2-one;3-methyl-1-(4-propan-2-ylphenyl)butan-2-one;2-methyl-4-propylheptan-3-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one;2,5,5-trimethylhexan-3-one is sourced from PubChem (CID 159574690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).