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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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

C210H268F15N7O22S5 — CID 157457156

IUPAC2-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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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)c1ccc(-c2ccccn2)s1.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)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)c1ccccc1CS(C)(=O)=O.CC(C)c1ccccc1OCC(N)=O.CC(C)c1ccccc1S(C)(=O)=O.CC(C)c1cnc(N2CCCCC2)cn1.COC(=O)COc1ccccc1C(C)C.COC(=O)c1cccc(C(C)C)c1.COC(=O)c1ccccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C12H19N3.C12H13NS.C12H16O3.C11H15NO2.C11H16O2S.2C11H14O2.2C10H11F3O.2C10H11F3.C10H12FNO.C10H10FN.C10H13FO2S.2C10H14O2S.C10H12O2.3C10H14/c1-10(2)11-8-14-12(9-13-11)15-6-4-3-5-7-15;1-9(2)11-6-7-12(14-11)10-5-3-4-8-13-10;1-9(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;1-9(2)11-7-5-4-6-10(11)8-14(3,12)13;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-8(2)9-6-4-5-7-10(9)11(12)13-3;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;1-6(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;1-8(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/h8-10H,3-7H2,1-2H3;3-9H,1-2H3;4-7,9H,8H2,1-3H3;3-6,8H,7H2,1-2H3,(H2,12,13);4-7,9H,8H2,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H2,12,13);3-5,7H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;3-5,7H,6H2,1-2H3;3*4-8H,1-3H3
InChIKeyBTMNORIFYRSFBH-UHFFFAOYSA-N
MW3687.79 g/mol
LogP56.72
Rot. Bonds38

About 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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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

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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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 157457156) has the molecular formula C210H268F15N7O22S5 and a molecular weight of 3687.79 g/mol. Its IUPAC name is 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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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 Name2-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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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 CID157457156
Molecular FormulaC210H268F15N7O22S5
Molecular Weight3687.79 g/mol
Exact Mass3684.84
IUPAC Name2-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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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)c1ccc(-c2ccccn2)s1.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)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)c1ccccc1CS(C)(=O)=O.CC(C)c1ccccc1OCC(N)=O.CC(C)c1ccccc1S(C)(=O)=O.CC(C)c1cnc(N2CCCCC2)cn1.COC(=O)COc1ccccc1C(C)C.COC(=O)c1cccc(C(C)C)c1.COC(=O)c1ccccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C12H19N3.C12H13NS.C12H16O3.C11H15NO2.C11H16O2S.2C11H14O2.2C10H11F3O.2C10H11F3.C10H12FNO.C10H10FN.C10H13FO2S.2C10H14O2S.C10H12O2.3C10H14/c1-10(2)11-8-14-12(9-13-11)15-6-4-3-5-7-15;1-9(2)11-6-7-12(14-11)10-5-3-4-8-13-10;1-9(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;1-9(2)11-7-5-4-6-10(11)8-14(3,12)13;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-8(2)9-6-4-5-7-10(9)11(12)13-3;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;1-6(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;1-8(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/h8-10H,3-7H2,1-2H3;3-9H,1-2H3;4-7,9H,8H2,1-3H3;3-6,8H,7H2,1-2H3,(H2,12,13);4-7,9H,8H2,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H2,12,13);3-5,7H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;3-5,7H,6H2,1-2H3;3*4-8H,1-3H3
InChIKeyBTMNORIFYRSFBH-UHFFFAOYSA-N
XLogP56.72
TPSA422.72 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds38
Heavy Atoms259
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003687.79
LogP ≤ 556.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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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Frequently Asked Questions

What is the IUPAC name of 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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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 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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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 157457156) is 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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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 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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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 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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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)c1ccc(-c2ccccn2)s1.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)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)c1ccccc1CS(C)(=O)=O.CC(C)c1ccccc1OCC(N)=O.CC(C)c1ccccc1S(C)(=O)=O.CC(C)c1cnc(N2CCCCC2)cn1.COC(=O)COc1ccccc1C(C)C.COC(=O)c1cccc(C(C)C)c1.COC(=O)c1ccccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of 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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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 BTMNORIFYRSFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.C12H13NS.C12H16O3.C11H15NO2.C11H16O2S.2C11H14O2.2C10H11F3O.2C10H11F3.C10H12FNO.C10H10FN.C10H13FO2S.2C10H14O2S.C10H12O2.3C10H14/c1-10(2)11-8-14-12(9-13-11)15-6-4-3-5-7-15;1-9(2)11-6-7-12(14-11)10-5-3-4-8-13-10;1-9(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;1-9(2)11-7-5-4-6-10(11)8-14(3,12)13;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-8(2)9-6-4-5-7-10(9)11(12)13-3;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;1-6(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;1-8(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/h8-10H,3-7H2,1-2H3;3-9H,1-2H3;4-7,9H,8H2,1-3H3;3-6,8H,7H2,1-2H3,(H2,12,13);4-7,9H,8H2,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H2,12,13);3-5,7H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;3-5,7H,6H2,1-2H3;3*4-8H,1-3H3.
What are the key properties of 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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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?
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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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 3687.79 g/mol, XLogP of 56.72, 38 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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-propan-2-ylbenzoate;methyl 3-propan-2-ylbenzoate;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;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-yl-1,3-benzodioxole;2-(2-propan-2-ylphenoxy)acetamide;2-(5-propan-2-ylthiophen-2-yl)pyridine;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 157457156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).