1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine)

C237H504F7N13O12 — CID 167618311

About 1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine)

1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine) (PubChem CID 167618311) has the molecular formula C237H504F7N13O12 and a molecular weight of 3861.70 g/mol. Its IUPAC name is 1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine).

Molecular Properties

• Compound Name: 1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine)
• PubChem CID: 167618311
• Molecular Formula: C237H504F7N13O12
• Molecular Weight: 3861.70 g/mol
• Exact Mass: 3858.91
• IUPAC Name: 1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine)
• SMILES: CC(C)C(C)(C)O.CC(C)C(C)(C)O.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCN1C.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)CC(C)(F)F.CC(C)CC(F)F.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCO.CC(C)CN(C)C.CC(C)CN(C)C.CC(C)CN(C)C.CC(C)CN1CC(F)C1.CC(C)CN1CC(F)C1.CC(C)CN1CC(F)C1.CC(C)CN1CCC1.CC(C)CN1CCC1.CC(C)CN1CCC1.CC(C)CN1CCOCC1.CC(C)[C@@H]1CCCN1C.CC(C)[C@@H]1CCOC1.CC(C)[C@H]1CCCN1C.CC(C)[C@H]1CCOC1.COC(C)(C)C(C)C.COC(C)(C)C(C)C.COC(C)(C)C(C)C.COCCC(C)C
• InChI: InChI=1S/C8H17NO.3C8H17N.C8H16O.6C8H16.3C7H14FN.3C7H15N.3C7H14O.3C7H16O.C7H14.C6H12F2.3C6H15N.3C6H14O.C6H12.C5H10F2.C5H12O/c1-8(2)7-9-3-5-10-6-4-9;3*1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;6*1-7(2)3-4-8-5-6-8;3*1-6(2)3-9-4-7(8)5-9;3*1-7(2)6-8-4-3-5-8;3*1-6(2)7-3-4-8-5-7;3*1-6(2)7(3,4)8-5;1-6(2)7-4-3-5-7;1-5(2)4-6(3,7)8;3*1-6(2)5-7(3)4;1-6(2)4-5-7-3;2*1-5(2)6(3,4)7;1-5(2)6-3-4-6;1-4(2)3-5(6)7;1-5(2)3-4-6/h8H,3-7H2,1-2H3;3*7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;6*7-8H,3-6H2,1-2H3;3*6-7H,3-5H2,1-2H3;3*7H,3-6H2,1-2H3;3*6-7H,3-5H2,1-2H3;3*6H,1-5H3;6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;3*6H,5H2,1-4H3;6H,4-5H2,1-3H3;2*5,7H,1-4H3;5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3/t;2*8-;;;;;;;;;;;;;;;2*7-;;;;;;;;;;;;;;;/m.10..............10.............../s1
• InChIKey: MBKBPOQDKJRCRI-SFQMDAFZSA-N
• XLogP: 63.04
• TPSA: 185.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 64
• Heavy Atoms: 269
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3861.70
LogP ≤ 5	63.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine)?

The IUPAC name of 1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine) (CID 167618311) is 1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine).

What is the SMILES notation for 1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine)?

The canonical SMILES for 1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine) is CC(C)C(C)(C)O.CC(C)C(C)(C)O.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCN1C.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)CC(C)(F)F.CC(C)CC(F)F.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCC1CC1.CC(C)CCO.CC(C)CN(C)C.CC(C)CN(C)C.CC(C)CN(C)C.CC(C)CN1CC(F)C1.CC(C)CN1CC(F)C1.CC(C)CN1CC(F)C1.CC(C)CN1CCC1.CC(C)CN1CCC1.CC(C)CN1CCC1.CC(C)CN1CCOCC1.CC(C)[C@@H]1CCCN1C.CC(C)[C@@H]1CCOC1.CC(C)[C@H]1CCCN1C.CC(C)[C@H]1CCOC1.COC(C)(C)C(C)C.COC(C)(C)C(C)C.COC(C)(C)C(C)C.COCCC(C)C.

What is the InChIKey of 1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine)?

The InChIKey is MBKBPOQDKJRCRI-SFQMDAFZSA-N. The full InChI is InChI=1S/C8H17NO.3C8H17N.C8H16O.6C8H16.3C7H14FN.3C7H15N.3C7H14O.3C7H16O.C7H14.C6H12F2.3C6H15N.3C6H14O.C6H12.C5H10F2.C5H12O/c1-8(2)7-9-3-5-10-6-4-9;3*1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;6*1-7(2)3-4-8-5-6-8;3*1-6(2)3-9-4-7(8)5-9;3*1-7(2)6-8-4-3-5-8;3*1-6(2)7-3-4-8-5-7;3*1-6(2)7(3,4)8-5;1-6(2)7-4-3-5-7;1-5(2)4-6(3,7)8;3*1-6(2)5-7(3)4;1-6(2)4-5-7-3;2*1-5(2)6(3,4)7;1-5(2)6-3-4-6;1-4(2)3-5(6)7;1-5(2)3-4-6/h8H,3-7H2,1-2H3;3*7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;6*7-8H,3-6H2,1-2H3;3*6-7H,3-5H2,1-2H3;3*7H,3-6H2,1-2H3;3*6-7H,3-5H2,1-2H3;3*6H,1-5H3;6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;3*6H,5H2,1-4H3;6H,4-5H2,1-3H3;2*5,7H,1-4H3;5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3/t;2*8-;;;;;;;;;;;;;;;2*7-;;;;;;;;;;;;;;;/m.10..............10.............../s1.

What are the key properties of 1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine)?

1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine) has a molecular weight of 3861.70 g/mol, XLogP of 63.04, 64 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutan-2-ol);tris(3-fluoro-1-(2-methylpropyl)azetidine);tris(2-methoxy-2,3-dimethylbutane);1-methoxy-3-methylbutane;3-methylbutan-1-ol;hexakis(3-methylbutylcyclopropane);1-methyl-2-propan-2-ylpyrrolidine;(2S)-1-methyl-2-propan-2-ylpyrrolidine;(2R)-1-methyl-2-propan-2-ylpyrrolidine;tris(1-(2-methylpropyl)azetidine);4-(2-methylpropyl)morpholine;propan-2-ylcyclobutane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxolane;(3S)-3-propan-2-yloxolane;(3R)-3-propan-2-yloxolane;tris(N,N,2-trimethylpropan-1-amine) is sourced from PubChem (CID 167618311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).