4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene)

C99H134ClF5N12O — CID 158182070

About 4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene)

4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene) (PubChem CID 158182070) has the molecular formula C99H134ClF5N12O and a molecular weight of 1643.72 g/mol. Its IUPAC name is 4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene).

Molecular Properties

• Compound Name: 4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene)
• PubChem CID: 158182070
• Molecular Formula: C99H134ClF5N12O
• Molecular Weight: 1643.72 g/mol
• Exact Mass: 1642.07
• IUPAC Name: 4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene)
• SMILES: C.C.CC1=C(C)N(C)CC1.Cc1cc2c(Cl)cc(F)cc2n1C.Cc1cc2c(OCC3CC3)cccc2n1C.Cc1cc2ccc(C(F)(F)F)cc2n1C.Cc1ccc(C)c(C)n1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccnc(C)c1C.Cc1ccnc(C)n1.Cc1nccnc1C.[C-]#[N+]c1ccc(F)c2c1cc(C)n2C.[H][2H].[H][2H].[H][2H].[H][2H].[H][2H]
• InChI: InChI=1S/C14H17NO.C11H10F3N.C11H9FN2.C10H9ClFN.2C8H11N.2C8H10.C7H13N.2C6H8N2.2CH4.5H2/c1-10-8-12-13(15(10)2)4-3-5-14(12)16-9-11-6-7-11;1-7-5-8-3-4-9(11(12,13)14)6-10(8)15(7)2;1-7-6-8-10(13-2)5-4-9(12)11(8)14(7)3;1-6-3-8-9(11)4-7(12)5-10(8)13(6)2;1-6-4-5-9-8(3)7(6)2;1-6-4-5-7(2)9-8(6)3;2*1-7-5-3-4-6-8(7)2;1-6-4-5-8(3)7(6)2;1-5-6(2)8-4-3-7-5;1-5-3-4-7-6(2)8-5;;;;;;;/h3-5,8,11H,6-7,9H2,1-2H3;3-6H,1-2H3;4-6H,1,3H3;3-5H,1-2H3;2*4-5H,1-3H3;2*3-6H,1-2H3;4-5H2,1-3H3;2*3-4H,1-2H3;2*1H4;5*1H/i;;;;;;;;;;;;;5*1+1
• InChIKey: FYSGDVXFIBZSIG-QQBHNGIRSA-N
• XLogP: 28.16
• TPSA: 113.89 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1643.72
LogP ≤ 5	28.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene)?

The IUPAC name of 4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene) (CID 158182070) is 4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene).

What is the SMILES notation for 4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene)?

The canonical SMILES for 4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene) is C.C.CC1=C(C)N(C)CC1.Cc1cc2c(Cl)cc(F)cc2n1C.Cc1cc2c(OCC3CC3)cccc2n1C.Cc1cc2ccc(C(F)(F)F)cc2n1C.Cc1ccc(C)c(C)n1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccnc(C)c1C.Cc1ccnc(C)n1.Cc1nccnc1C.[C-]#[N+]c1ccc(F)c2c1cc(C)n2C.[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].

What is the InChIKey of 4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene)?

The InChIKey is FYSGDVXFIBZSIG-QQBHNGIRSA-N. The full InChI is InChI=1S/C14H17NO.C11H10F3N.C11H9FN2.C10H9ClFN.2C8H11N.2C8H10.C7H13N.2C6H8N2.2CH4.5H2/c1-10-8-12-13(15(10)2)4-3-5-14(12)16-9-11-6-7-11;1-7-5-8-3-4-9(11(12,13)14)6-10(8)15(7)2;1-7-6-8-10(13-2)5-4-9(12)11(8)14(7)3;1-6-3-8-9(11)4-7(12)5-10(8)13(6)2;1-6-4-5-9-8(3)7(6)2;1-6-4-5-7(2)9-8(6)3;2*1-7-5-3-4-6-8(7)2;1-6-4-5-8(3)7(6)2;1-5-6(2)8-4-3-7-5;1-5-3-4-7-6(2)8-5;;;;;;;/h3-5,8,11H,6-7,9H2,1-2H3;3-6H,1-2H3;4-6H,1,3H3;3-5H,1-2H3;2*4-5H,1-3H3;2*3-6H,1-2H3;4-5H2,1-3H3;2*3-4H,1-2H3;2*1H4;5*1H/i;;;;;;;;;;;;;5*1+1.

What are the key properties of 4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene)?

4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene) has a molecular weight of 1643.72 g/mol, XLogP of 28.16, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-fluoro-1,2-dimethylindole;4-(cyclopropylmethoxy)-1,2-dimethylindole;deuterium monohydride;2,3-dimethylpyrazine;2,4-dimethylpyrimidine;1,2-dimethyl-6-(trifluoromethyl)indole;7-fluoro-4-isocyano-1,2-dimethylindole;methane;1,4,5-trimethyl-2,3-dihydropyrrole;2,3,4-trimethylpyridine;2,3,6-trimethylpyridine;bis(1,2-xylene) is sourced from PubChem (CID 158182070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).