1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine

C164H206F9N21O14S4 — CID 158225725

IUPAC1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine
SMILESCC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(N)=O)cn1.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(OC(F)(F)F)cc1F.CC(C)c1ccc(OC(F)(F)F)cn1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]ccc12.CC(C)c1ccccc1F.CC(C)c1cccnn1.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C#N)cnc1C(C)C
InChIInChI=1S/C13H15NO.C12H14.C11H13N.C10H10F4O.C10H14N2O.C10H12N2.C10H15NO2S.C9H10F3NO.C9H9FN2.C9H11F.2C9H12N2O.C9H10N2.3C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)8-4-3-7(5-9(8)11)15-10(12,13)14;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)10-8(3)4-9(5-11)6-12-10;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)8-4-3-7(5-13-8)14-9(10,11)12;1-6(2)9-8(10)3-7(4-11)5-12-9;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(5-11-8)9(10)12;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;3-6,8-9H,7H2,1-2H3;3-8,12H,1-2H3;3-6H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);4,6-7H,1-3H3;4-6,8H,7H2,1-3H3;3-6H,1-2H3;3,5-6H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3,(H2,10,12);3-4,6-7H,1-2H3;3*4-7H,1-3H3;3-6H,1-2H3
InChIKeyGDTWNZOVAOVITE-UHFFFAOYSA-N
MW2994.83 g/mol
LogP38.59
Rot. Bonds28

About 1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine

1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine (PubChem CID 158225725) has the molecular formula C164H206F9N21O14S4 and a molecular weight of 2994.83 g/mol. Its IUPAC name is 1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine
PubChem CID158225725
Molecular FormulaC164H206F9N21O14S4
Molecular Weight2994.83 g/mol
Exact Mass2992.48
IUPAC Name1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine
SMILESCC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(N)=O)cn1.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(OC(F)(F)F)cc1F.CC(C)c1ccc(OC(F)(F)F)cn1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]ccc12.CC(C)c1ccccc1F.CC(C)c1cccnn1.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C#N)cnc1C(C)C
InChIInChI=1S/C13H15NO.C12H14.C11H13N.C10H10F4O.C10H14N2O.C10H12N2.C10H15NO2S.C9H10F3NO.C9H9FN2.C9H11F.2C9H12N2O.C9H10N2.3C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)8-4-3-7(5-9(8)11)15-10(12,13)14;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)10-8(3)4-9(5-11)6-12-10;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)8-4-3-7(5-13-8)14-9(10,11)12;1-6(2)9-8(10)3-7(4-11)5-12-9;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(5-11-8)9(10)12;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;3-6,8-9H,7H2,1-2H3;3-8,12H,1-2H3;3-6H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);4,6-7H,1-3H3;4-6,8H,7H2,1-3H3;3-6H,1-2H3;3,5-6H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3,(H2,10,12);3-4,6-7H,1-2H3;3*4-7H,1-3H3;3-6H,1-2H3
InChIKeyGDTWNZOVAOVITE-UHFFFAOYSA-N
XLogP38.59
TPSA561.02 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002994.83
LogP ≤ 538.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine with MolForge

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Launch Full Analysis

Related Compounds

3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine
CID 157147340
1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine
CID 161725938

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine?
The IUPAC name of 1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine (CID 158225725) is 1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine is CC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(N)=O)cn1.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(OC(F)(F)F)cc1F.CC(C)c1ccc(OC(F)(F)F)cn1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]ccc12.CC(C)c1ccccc1F.CC(C)c1cccnn1.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C#N)cnc1C(C)C.
What is the InChIKey of 1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine?
The InChIKey is GDTWNZOVAOVITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C12H14.C11H13N.C10H10F4O.C10H14N2O.C10H12N2.C10H15NO2S.C9H10F3NO.C9H9FN2.C9H11F.2C9H12N2O.C9H10N2.3C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)8-4-3-7(5-9(8)11)15-10(12,13)14;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)10-8(3)4-9(5-11)6-12-10;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)8-4-3-7(5-13-8)14-9(10,11)12;1-6(2)9-8(10)3-7(4-11)5-12-9;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(5-11-8)9(10)12;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;3-6,8-9H,7H2,1-2H3;3-8,12H,1-2H3;3-6H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);4,6-7H,1-3H3;4-6,8H,7H2,1-3H3;3-6H,1-2H3;3,5-6H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3,(H2,10,12);3-4,6-7H,1-2H3;3*4-7H,1-3H3;3-6H,1-2H3.
What are the key properties of 1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine?
1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine has a molecular weight of 2994.83 g/mol, XLogP of 38.59, 28 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 158225725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).