1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine

C208H318F6N20O6 — CID 159439099

About 1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine

1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 159439099) has the molecular formula C208H318F6N20O6 and a molecular weight of 3308.95 g/mol. Its IUPAC name is 1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine
• PubChem CID: 159439099
• Molecular Formula: C208H318F6N20O6
• Molecular Weight: 3308.95 g/mol
• Exact Mass: 3306.51
• IUPAC Name: 1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C=Cc1ccc(C(C)C)cc1F.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)nc1.CC(C)c1cccc(CO)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1CO.CC(C)c1ccncc1.CC(C)c1ccncc1CO.CC(C)c1cncc(F)c1.COc1ccc(C(C)C)c(CO)n1.COc1cncc(C(C)C)c1.Cc1cc(C(C)C)ccc1N.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncccc1C(C)C
• InChI: InChI=1S/C11H13F.C10H15NO2.C10H15N.C10H14.C9H10F3N.4C9H13NO.7C9H13N.2C8H10FN.4C8H11N.11CH4/c1-4-9-5-6-10(8(2)3)7-11(9)12;1-7(2)8-4-5-10(13-3)11-9(8)6-12;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-9(11-3)6-10-5-8;1-7(2)9-3-4-10-5-8(9)6-11;1-7(2)8-4-3-5-10-9(8)6-11;1-7(2)9-5-3-4-8(6-11)10-9;2*1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;;;;;;;;;;;/h4-8H,1H2,2-3H3;4-5,7,12H,6H2,1-3H3;4-7H,11H2,1-3H3;4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3*3-5,7,11H,6H2,1-2H3;7*4-7H,1-3H3;2*3-6H,1-2H3;4*3-7H,1-2H3;11*1H4
• InChIKey: LRYFMBHIGYZZJE-UHFFFAOYSA-N
• XLogP: 59.75
• TPSA: 370.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3308.95
LogP ≤ 5	59.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The IUPAC name of 1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 159439099) is 1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine is C.C.C.C.C.C.C.C.C.C.C.C=Cc1ccc(C(C)C)cc1F.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)nc1.CC(C)c1cccc(CO)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1CO.CC(C)c1ccncc1.CC(C)c1ccncc1CO.CC(C)c1cncc(F)c1.COc1ccc(C(C)C)c(CO)n1.COc1cncc(C(C)C)c1.Cc1cc(C(C)C)ccc1N.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncccc1C(C)C.

What is the InChIKey of 1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The InChIKey is LRYFMBHIGYZZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F.C10H15NO2.C10H15N.C10H14.C9H10F3N.4C9H13NO.7C9H13N.2C8H10FN.4C8H11N.11CH4/c1-4-9-5-6-10(8(2)3)7-11(9)12;1-7(2)8-4-5-10(13-3)11-9(8)6-12;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-9(11-3)6-10-5-8;1-7(2)9-3-4-10-5-8(9)6-11;1-7(2)8-4-3-5-10-9(8)6-11;1-7(2)9-5-3-4-8(6-11)10-9;2*1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;;;;;;;;;;;/h4-8H,1H2,2-3H3;4-5,7,12H,6H2,1-3H3;4-7H,11H2,1-3H3;4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3*3-5,7,11H,6H2,1-2H3;7*4-7H,1-3H3;2*3-6H,1-2H3;4*3-7H,1-2H3;11*1H4.

What are the key properties of 1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine?

1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3308.95 g/mol, XLogP of 59.75, 29 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methoxy-5-propan-2-ylpyridine;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;2-methyl-4-propan-2-ylaniline;1-methyl-3-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;tris(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;(3-propan-2-yl-2-pyridinyl)methanol;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159439099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).