bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane

C163H316Cl2F12N18O2 — CID 158313620

About bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane

bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane (PubChem CID 158313620) has the molecular formula C163H316Cl2F12N18O2 and a molecular weight of 2859.33 g/mol. Its IUPAC name is bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane.

Molecular Properties

• Compound Name: bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane
• PubChem CID: 158313620
• Molecular Formula: C163H316Cl2F12N18O2
• Molecular Weight: 2859.33 g/mol
• Exact Mass: 2856.44
• IUPAC Name: bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane
• SMILES: C.C.CC(C)(C)N1CC=CC1.CC(C)(C)N1CCC(OC(F)F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CC[C@@H](C(F)(F)F)C1.CC(C)(C)N1CC[C@H](C(F)(F)F)C1.CC(C)(C)n1cccc1.CC(C)(C)n1cccc1Cl.CC(C)(C)n1cccc1Cl.CC1(F)CCN(C(C)(C)C)CC1.CC1(O)CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)C[C@@H]1F.C[C@@H]1CN(C(C)(C)C)C[C@H]1F.C[C@@H]1CN(C(C)(C)C)C[C@H]1F.Cc1ccn(C(C)(C)C)c1
• InChI: InChI=1S/C10H20FN.3C10H21N.2C9H16F3N.C9H17F2NO.3C9H18FN.C9H19NO.C9H19N.C9H15N.2C8H12ClN.C8H17N.C8H15N.C8H13N.2CH4/c1-9(2,3)12-7-5-10(4,11)6-8-12;3*1-9-5-7-11(8-6-9)10(2,3)4;2*1-8(2,3)13-5-4-7(6-13)9(10,11)12;1-9(2,3)12-5-4-7(6-12)13-8(10)11;3*1-7-5-11(6-8(7)10)9(2,3)4;1-8(2,3)10-6-5-9(4,11)7-10;2*1-8-5-6-10(7-8)9(2,3)4;2*1-8(2,3)10-6-4-5-7(10)9;3*1-8(2,3)9-6-4-5-7-9;;/h5-8H2,1-4H3;3*9H,5-8H2,1-4H3;2*7H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;3*7-8H,5-6H2,1-4H3;11H,5-7H2,1-4H3;8H,5-7H2,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;4-7H2,1-3H3;4-5H,6-7H2,1-3H3;4-7H,1-3H3;2*1H4/t;;;;2*7-;;7-,8+;2*7-,8-;;;;;;;;;;/m....10.111........../s1
• InChIKey: GNZCNUSYYIBWDD-DZHIAHHXSA-N
• XLogP: 42.59
• TPSA: 94.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 2
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2859.33
LogP ≤ 5	42.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane?

The IUPAC name of bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane (CID 158313620) is bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane.

What is the SMILES notation for bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane?

The canonical SMILES for bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane is C.C.CC(C)(C)N1CC=CC1.CC(C)(C)N1CCC(OC(F)F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CC[C@@H](C(F)(F)F)C1.CC(C)(C)N1CC[C@H](C(F)(F)F)C1.CC(C)(C)n1cccc1.CC(C)(C)n1cccc1Cl.CC(C)(C)n1cccc1Cl.CC1(F)CCN(C(C)(C)C)CC1.CC1(O)CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)C[C@@H]1F.C[C@@H]1CN(C(C)(C)C)C[C@H]1F.C[C@@H]1CN(C(C)(C)C)C[C@H]1F.Cc1ccn(C(C)(C)C)c1.

What is the InChIKey of bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane?

The InChIKey is GNZCNUSYYIBWDD-DZHIAHHXSA-N. The full InChI is InChI=1S/C10H20FN.3C10H21N.2C9H16F3N.C9H17F2NO.3C9H18FN.C9H19NO.C9H19N.C9H15N.2C8H12ClN.C8H17N.C8H15N.C8H13N.2CH4/c1-9(2,3)12-7-5-10(4,11)6-8-12;3*1-9-5-7-11(8-6-9)10(2,3)4;2*1-8(2,3)13-5-4-7(6-13)9(10,11)12;1-9(2,3)12-5-4-7(6-12)13-8(10)11;3*1-7-5-11(6-8(7)10)9(2,3)4;1-8(2,3)10-6-5-9(4,11)7-10;2*1-8-5-6-10(7-8)9(2,3)4;2*1-8(2,3)10-6-4-5-7(10)9;3*1-8(2,3)9-6-4-5-7-9;;/h5-8H2,1-4H3;3*9H,5-8H2,1-4H3;2*7H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;3*7-8H,5-6H2,1-4H3;11H,5-7H2,1-4H3;8H,5-7H2,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;4-7H2,1-3H3;4-5H,6-7H2,1-3H3;4-7H,1-3H3;2*1H4/t;;;;2*7-;;7-,8+;2*7-,8-;;;;;;;;;;/m....10.111........../s1.

What are the key properties of bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane?

bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane has a molecular weight of 2859.33 g/mol, XLogP of 42.59, 2 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-tert-butyl-2-chloropyrrole);1-tert-butyl-3-(difluoromethoxy)pyrrolidine;1-tert-butyl-2,5-dihydropyrrole;1-tert-butyl-4-fluoro-4-methylpiperidine;bis((3S,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine);(3R,4R)-1-tert-butyl-3-fluoro-4-methylpyrrolidine;tris(1-tert-butyl-4-methylpiperidine);1-tert-butyl-3-methylpyrrole;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-3-ol;1-tert-butylpyrrole;1-tert-butylpyrrolidine;(3R)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;(3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine;methane is sourced from PubChem (CID 158313620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).