1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine

C66H107F2N9O3 — CID 158326943

About 1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine

1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine (PubChem CID 158326943) has the molecular formula C66H107F2N9O3 and a molecular weight of 1112.64 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine.

Molecular Properties

• Compound Name: 1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine
• PubChem CID: 158326943
• Molecular Formula: C66H107F2N9O3
• Molecular Weight: 1112.64 g/mol
• Exact Mass: 1111.85
• IUPAC Name: 1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine
• SMILES: C.C.CC(C)COc1cncc(C(C)C)n1.CC(C)Nc1ccc(C(C)C)cn1.CC(C)Nc1cccc(C(C)C)n1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cncc(OCC(C)(C)C)n1.COc1ccc(C(C)C)cn1
• InChI: InChI=1S/C12H20N2O.C11H18N2O.2C11H18N2.C10H12F2.C9H13NO.2CH4/c1-9(2)10-6-13-7-11(14-10)15-8-12(3,4)5;1-8(2)7-14-11-6-12-5-10(13-11)9(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)10-6-5-7-11(13-10)12-9(3)4;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-4-5-9(11-3)10-6-8;;/h6-7,9H,8H2,1-5H3;5-6,8-9H,7H2,1-4H3;2*5-9H,1-4H3,(H,12,13);3-7,10H,1-2H3;4-7H,1-3H3;2*1H4
• InChIKey: GPNJGDHUKXSVQG-UHFFFAOYSA-N
• XLogP: 18.94
• TPSA: 141.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1112.64
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine?

The IUPAC name of 1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine (CID 158326943) is 1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine.

What is the SMILES notation for 1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine?

The canonical SMILES for 1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine is C.C.CC(C)COc1cncc(C(C)C)n1.CC(C)Nc1ccc(C(C)C)cn1.CC(C)Nc1cccc(C(C)C)n1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cncc(OCC(C)(C)C)n1.COc1ccc(C(C)C)cn1.

What is the InChIKey of 1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine?

The InChIKey is GPNJGDHUKXSVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.C11H18N2O.2C11H18N2.C10H12F2.C9H13NO.2CH4/c1-9(2)10-6-13-7-11(14-10)15-8-12(3,4)5;1-8(2)7-14-11-6-12-5-10(13-11)9(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)10-6-5-7-11(13-10)12-9(3)4;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-4-5-9(11-3)10-6-8;;/h6-7,9H,8H2,1-5H3;5-6,8-9H,7H2,1-4H3;2*5-9H,1-4H3,(H,12,13);3-7,10H,1-2H3;4-7H,1-3H3;2*1H4.

What are the key properties of 1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine?

1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine has a molecular weight of 1112.64 g/mol, XLogP of 18.94, 17 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(difluoromethyl)-3-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyrazine;N,5-di(propan-2-yl)pyridin-2-amine;N,6-di(propan-2-yl)pyridin-2-amine;methane;2-methoxy-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyrazine is sourced from PubChem (CID 158326943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).