3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

C205H255F19N6O21S4 — CID 159348914

IUPAC3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1c(F)cc(C#N)cc1F.CC(C)c1c(F)cc(C(N)=O)cc1F.CC(C)c1ccc(C#N)cc1F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(N)=O)cc1F.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1F.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccc2c1OCO2.CC(C)c1ccccc1CS(C)(=O)=O.CC(C)c1ccccc1OCC(N)=O.CC(C)c1ccccc1S(C)(=O)=O.COC(=O)COc1ccccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C12H16O3.C11H15NO2.C11H15N.C11H16O2S.2C10H11F3O.2C10H11F3.C10H11F2NO.C10H9F2N.C10H12FNO.C10H10FN.C10H13FO2S.2C10H14O2S.2C10H12O2.3C10H14/c1-9(2)10-6-4-5-7-11(10)15-8-12(13)14-3;1-8(2)9-5-3-4-6-10(9)14-7-11(12)13;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-9(2)11-7-5-4-6-10(11)8-14(3,12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-5(2)9-7(11)3-6(10(13)14)4-8(9)12;1-6(2)10-8(11)3-7(5-13)4-9(10)12;1-6(2)8-4-3-7(10(12)13)5-9(8)11;1-7(2)9-4-3-8(6-12)5-10(9)11;1-7(2)9-5-4-8(6-10(9)11)14(3,12)13;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3/h4-7,9H,8H2,1-3H3;3-6,8H,7H2,1-2H3,(H2,12,13);3-4,7-8,12H,5-6H2,1-2H3;4-7,9H,8H2,1-3H3;2*3-7H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3,(H2,13,14);3-4,6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-5,7H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;2*3-5,7H,6H2,1-2H3;3*4-8H,1-3H3
InChIKeyLHBRWSMHUGNSPC-UHFFFAOYSA-N
MW3628.55 g/mol
LogP55.47
Rot. Bonds35

About 3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 159348914) has the molecular formula C205H255F19N6O21S4 and a molecular weight of 3628.55 g/mol. Its IUPAC name is 3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID159348914
Molecular FormulaC205H255F19N6O21S4
Molecular Weight3628.55 g/mol
Exact Mass3625.76
IUPAC Name3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1c(F)cc(C#N)cc1F.CC(C)c1c(F)cc(C(N)=O)cc1F.CC(C)c1ccc(C#N)cc1F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(N)=O)cc1F.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1F.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccc2c1OCO2.CC(C)c1ccccc1CS(C)(=O)=O.CC(C)c1ccccc1OCC(N)=O.CC(C)c1ccccc1S(C)(=O)=O.COC(=O)COc1ccccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C12H16O3.C11H15NO2.C11H15N.C11H16O2S.2C10H11F3O.2C10H11F3.C10H11F2NO.C10H9F2N.C10H12FNO.C10H10FN.C10H13FO2S.2C10H14O2S.2C10H12O2.3C10H14/c1-9(2)10-6-4-5-7-11(10)15-8-12(13)14-3;1-8(2)9-5-3-4-6-10(9)14-7-11(12)13;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-9(2)11-7-5-4-6-10(11)8-14(3,12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-5(2)9-7(11)3-6(10(13)14)4-8(9)12;1-6(2)10-8(11)3-7(5-13)4-9(10)12;1-6(2)8-4-3-7(10(12)13)5-9(8)11;1-7(2)9-4-3-8(6-12)5-10(9)11;1-7(2)9-5-4-8(6-10(9)11)14(3,12)13;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3/h4-7,9H,8H2,1-3H3;3-6,8H,7H2,1-2H3,(H2,12,13);3-4,7-8,12H,5-6H2,1-2H3;4-7,9H,8H2,1-3H3;2*3-7H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3,(H2,13,14);3-4,6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-5,7H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;2*3-5,7H,6H2,1-2H3;3*4-8H,1-3H3
InChIKeyLHBRWSMHUGNSPC-UHFFFAOYSA-N
XLogP55.47
TPSA425.58 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003628.55
LogP ≤ 555.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158327524
3,5-Difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1,3-benzoxazole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 161930533
3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;4-fluoro-3-propan-2-ylpyridine;2-methoxy-4-methyl-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;5-propan-2-ylpyridine-3-carbonitrile
CID 162088114

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 159348914) is 3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)c1c(F)cc(C#N)cc1F.CC(C)c1c(F)cc(C(N)=O)cc1F.CC(C)c1ccc(C#N)cc1F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(N)=O)cc1F.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1F.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccc2c1OCO2.CC(C)c1ccccc1CS(C)(=O)=O.CC(C)c1ccccc1OCC(N)=O.CC(C)c1ccccc1S(C)(=O)=O.COC(=O)COc1ccccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of 3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is LHBRWSMHUGNSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3.C11H15NO2.C11H15N.C11H16O2S.2C10H11F3O.2C10H11F3.C10H11F2NO.C10H9F2N.C10H12FNO.C10H10FN.C10H13FO2S.2C10H14O2S.2C10H12O2.3C10H14/c1-9(2)10-6-4-5-7-11(10)15-8-12(13)14-3;1-8(2)9-5-3-4-6-10(9)14-7-11(12)13;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-9(2)11-7-5-4-6-10(11)8-14(3,12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-5(2)9-7(11)3-6(10(13)14)4-8(9)12;1-6(2)10-8(11)3-7(5-13)4-9(10)12;1-6(2)8-4-3-7(10(12)13)5-9(8)11;1-7(2)9-4-3-8(6-12)5-10(9)11;1-7(2)9-5-4-8(6-10(9)11)14(3,12)13;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3/h4-7,9H,8H2,1-3H3;3-6,8H,7H2,1-2H3,(H2,12,13);3-4,7-8,12H,5-6H2,1-2H3;4-7,9H,8H2,1-3H3;2*3-7H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3,(H2,13,14);3-4,6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-5,7H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;2*3-5,7H,6H2,1-2H3;3*4-8H,1-3H3.
What are the key properties of 3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 3628.55 g/mol, XLogP of 55.47, 35 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-propan-2-ylbenzamide;3,5-difluoro-4-propan-2-ylbenzonitrile;2-fluoro-4-methylsulfonyl-1-propan-2-ylbenzene;3-fluoro-4-propan-2-ylbenzamide;3-fluoro-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 2-(2-propan-2-ylphenoxy)acetate;1-(methylsulfonylmethyl)-2-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1H-indole;2-(2-propan-2-ylphenoxy)acetamide;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 159348914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).