1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one

C167H207F9N2O16 — CID 157094058

IUPAC1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one
SMILESCC(C)C(=O)C(F)(F)c1ccccc1.CC(C)C(=O)Cc1cccc(F)c1.CC(C)C(=O)Cc1ccccc1.CC(C)C(=O)Cc1ccccc1O.CC(C)C(=O)Cc1ccccn1.CC(C)C(=O)c1ccc(F)c(F)c1.CC(C)C(=O)c1cccnc1.Cc1cc(F)c(CC(=O)C(C)C)c(F)c1.Cc1ccc(CC(=O)C(C)C)c(F)c1.Cc1ccc(CC(=O)C(C)C)cc1F.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(CC(=O)C(C)C)c1.Cc1cccc(CC(=O)C(C)C)c1.Cc1ccccc1CC(=O)C(C)C
InChIInChI=1S/C12H14F2O.2C12H15FO.3C12H16O.C11H12F2O.C11H13FO.C11H14O2.3C11H14O.C10H10F2O.C10H13NO.C9H11NO/c1-7(2)12(15)6-9-10(13)4-8(3)5-11(9)14;1-8(2)12(14)7-10-5-4-9(3)11(13)6-10;1-8(2)12(14)7-10-5-4-9(3)6-11(10)13;2*1-9(2)12(13)8-11-6-4-5-10(3)7-11;1-9(2)12(13)8-11-7-5-4-6-10(11)3;1-8(2)10(14)11(12,13)9-6-4-3-5-7-9;1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-8(2)11(13)7-9-5-3-4-6-10(9)12;2*1-8(2)11(12)10-6-4-5-9(3)7-10;1-9(2)11(12)8-10-6-4-3-5-7-10;1-6(2)10(13)7-3-4-8(11)9(12)5-7;1-8(2)10(12)7-9-5-3-4-6-11-9;1-7(2)9(11)8-4-3-5-10-6-8/h4-5,7H,6H2,1-3H3;2*4-6,8H,7H2,1-3H3;3*4-7,9H,8H2,1-3H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;3-6,8,12H,7H2,1-2H3;2*4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-6H,1-2H3;3-6,8H,7H2,1-2H3;3-7H,1-2H3
InChIKeyAEZPMXFYLBNWCR-UHFFFAOYSA-N
MW2669.47 g/mol
LogP39.58
Rot. Bonds41

About 1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one

1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one (PubChem CID 157094058) has the molecular formula C167H207F9N2O16 and a molecular weight of 2669.47 g/mol. Its IUPAC name is 1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one
PubChem CID157094058
Molecular FormulaC167H207F9N2O16
Molecular Weight2669.47 g/mol
Exact Mass2667.53
IUPAC Name1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one
SMILESCC(C)C(=O)C(F)(F)c1ccccc1.CC(C)C(=O)Cc1cccc(F)c1.CC(C)C(=O)Cc1ccccc1.CC(C)C(=O)Cc1ccccc1O.CC(C)C(=O)Cc1ccccn1.CC(C)C(=O)c1ccc(F)c(F)c1.CC(C)C(=O)c1cccnc1.Cc1cc(F)c(CC(=O)C(C)C)c(F)c1.Cc1ccc(CC(=O)C(C)C)c(F)c1.Cc1ccc(CC(=O)C(C)C)cc1F.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(CC(=O)C(C)C)c1.Cc1cccc(CC(=O)C(C)C)c1.Cc1ccccc1CC(=O)C(C)C
InChIInChI=1S/C12H14F2O.2C12H15FO.3C12H16O.C11H12F2O.C11H13FO.C11H14O2.3C11H14O.C10H10F2O.C10H13NO.C9H11NO/c1-7(2)12(15)6-9-10(13)4-8(3)5-11(9)14;1-8(2)12(14)7-10-5-4-9(3)11(13)6-10;1-8(2)12(14)7-10-5-4-9(3)6-11(10)13;2*1-9(2)12(13)8-11-6-4-5-10(3)7-11;1-9(2)12(13)8-11-7-5-4-6-10(11)3;1-8(2)10(14)11(12,13)9-6-4-3-5-7-9;1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-8(2)11(13)7-9-5-3-4-6-10(9)12;2*1-8(2)11(12)10-6-4-5-9(3)7-10;1-9(2)11(12)8-10-6-4-3-5-7-10;1-6(2)10(13)7-3-4-8(11)9(12)5-7;1-8(2)10(12)7-9-5-3-4-6-11-9;1-7(2)9(11)8-4-3-5-10-6-8/h4-5,7H,6H2,1-3H3;2*4-6,8H,7H2,1-3H3;3*4-7,9H,8H2,1-3H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;3-6,8,12H,7H2,1-2H3;2*4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-6H,1-2H3;3-6,8H,7H2,1-2H3;3-7H,1-2H3
InChIKeyAEZPMXFYLBNWCR-UHFFFAOYSA-N
XLogP39.58
TPSA302.06 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds41
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002669.47
LogP ≤ 539.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

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CID 147632417
1,1-Difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-hydroxy-3-methyl-1-phenylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one?
The IUPAC name of 1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one (CID 157094058) is 1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one is CC(C)C(=O)C(F)(F)c1ccccc1.CC(C)C(=O)Cc1cccc(F)c1.CC(C)C(=O)Cc1ccccc1.CC(C)C(=O)Cc1ccccc1O.CC(C)C(=O)Cc1ccccn1.CC(C)C(=O)c1ccc(F)c(F)c1.CC(C)C(=O)c1cccnc1.Cc1cc(F)c(CC(=O)C(C)C)c(F)c1.Cc1ccc(CC(=O)C(C)C)c(F)c1.Cc1ccc(CC(=O)C(C)C)cc1F.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(CC(=O)C(C)C)c1.Cc1cccc(CC(=O)C(C)C)c1.Cc1ccccc1CC(=O)C(C)C.
What is the InChIKey of 1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one?
The InChIKey is AEZPMXFYLBNWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O.2C12H15FO.3C12H16O.C11H12F2O.C11H13FO.C11H14O2.3C11H14O.C10H10F2O.C10H13NO.C9H11NO/c1-7(2)12(15)6-9-10(13)4-8(3)5-11(9)14;1-8(2)12(14)7-10-5-4-9(3)11(13)6-10;1-8(2)12(14)7-10-5-4-9(3)6-11(10)13;2*1-9(2)12(13)8-11-6-4-5-10(3)7-11;1-9(2)12(13)8-11-7-5-4-6-10(11)3;1-8(2)10(14)11(12,13)9-6-4-3-5-7-9;1-8(2)11(13)7-9-4-3-5-10(12)6-9;1-8(2)11(13)7-9-5-3-4-6-10(9)12;2*1-8(2)11(12)10-6-4-5-9(3)7-10;1-9(2)11(12)8-10-6-4-3-5-7-10;1-6(2)10(13)7-3-4-8(11)9(12)5-7;1-8(2)10(12)7-9-5-3-4-6-11-9;1-7(2)9(11)8-4-3-5-10-6-8/h4-5,7H,6H2,1-3H3;2*4-6,8H,7H2,1-3H3;3*4-7,9H,8H2,1-3H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;3-6,8,12H,7H2,1-2H3;2*4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-6H,1-2H3;3-6,8H,7H2,1-2H3;3-7H,1-2H3.
What are the key properties of 1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one?
1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one has a molecular weight of 2669.47 g/mol, XLogP of 39.58, 41 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methyl-1-phenylbutan-2-one;1-(2,6-difluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluoro-4-methylphenyl)-3-methylbutan-2-one;1-(3-fluorophenyl)-3-methylbutan-2-one;1-(2-hydroxyphenyl)-3-methylbutan-2-one;3-methyl-1-(2-methylphenyl)butan-2-one;bis(3-methyl-1-(3-methylphenyl)butan-2-one);bis(2-methyl-1-(3-methylphenyl)propan-1-one);3-methyl-1-phenylbutan-2-one;3-methyl-1-pyridin-2-ylbutan-2-one;2-methyl-1-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 157094058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).