1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)

C189H419F3N30O2 — CID 165065579

About 1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)

1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine) (PubChem CID 165065579) has the molecular formula C189H419F3N30O2 and a molecular weight of 3201.63 g/mol. Its IUPAC name is 1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine).

Molecular Properties

• Compound Name: 1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)
• PubChem CID: 165065579
• Molecular Formula: C189H419F3N30O2
• Molecular Weight: 3201.63 g/mol
• Exact Mass: 3199.36
• IUPAC Name: 1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)
• SMILES: CC.CC.CC.CC.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C(C)C)CCN1C.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(F)F.CCOO.CF
• InChI: InChI=1S/6C12H26N2.2C11H24N2.2C11H23N.6C10H22N2.C2H4F2.C2H6O2.4C2H6.CH3F/c4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;2*1-9(2)11-8-13(10(3)4)7-6-12(11)5;2*1-9(2)11-6-5-7-12(8-11)10(3)4;6*1-9(2)11-5-7-12(8-6-11)10(3)4;1-2(3)4;1-2-4-3;5*1-2/h4*9-12H,7-8H2,1-6H3;2*10-11H,7-9H2,1-6H3;2*9-11H,6-8H2,1-5H3;2*9-11H,5-8H2,1-4H3;6*9-10H,5-8H2,1-4H3;2H,1H3;3H,2H2,1H3;4*1-2H3;1H3/t2*11-,12+;2*11-,12-;;;;;;;;;;;;;;;;;;;/m..11.................../s1
• InChIKey: RXAMWJSEUCHDDP-KWVKIOBASA-N
• XLogP: 37.03
• TPSA: 126.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3201.63
LogP ≤ 5	37.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)?

The IUPAC name of 1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine) (CID 165065579) is 1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine).

What is the SMILES notation for 1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)?

The canonical SMILES for 1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine) is CC.CC.CC.CC.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C(C)C)CCN1C.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(F)F.CCOO.CF.

What is the InChIKey of 1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)?

The InChIKey is RXAMWJSEUCHDDP-KWVKIOBASA-N. The full InChI is InChI=1S/6C12H26N2.2C11H24N2.2C11H23N.6C10H22N2.C2H4F2.C2H6O2.4C2H6.CH3F/c4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;2*1-9(2)11-8-13(10(3)4)7-6-12(11)5;2*1-9(2)11-6-5-7-12(8-11)10(3)4;6*1-9(2)11-5-7-12(8-6-11)10(3)4;1-2(3)4;1-2-4-3;5*1-2/h4*9-12H,7-8H2,1-6H3;2*10-11H,7-9H2,1-6H3;2*9-11H,6-8H2,1-5H3;2*9-11H,5-8H2,1-4H3;6*9-10H,5-8H2,1-4H3;2H,1H3;3H,2H2,1H3;4*1-2H3;1H3/t2*11-,12+;2*11-,12-;;;;;;;;;;;;;;;;;;;/m..11.................../s1.

What are the key properties of 1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)?

1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine) has a molecular weight of 3201.63 g/mol, XLogP of 37.03, 33 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoroethane;bis(2,2-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;hydroperoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine) is sourced from PubChem (CID 165065579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).