1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)

C166H369F3N26O — CID 164983686

IUPAC1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)
SMILESCC.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)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.CCOC.CF
InChIInChI=1S/4C12H26N2.2C11H24N2.2C11H23N.6C10H22N2.C3H8O.C2H4F2.4C2H6.CH3F/c4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;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;1-3-4-2;1-2(3)4;5*1-2/h4*9-12H,7-8H2,1-6H3;2*9-11H,6-8H2,1-5H3;2*9-11H,5-8H2,1-4H3;6*9-10H,5-8H2,1-4H3;3H2,1-2H3;2H,1H3;4*1-2H3;1H3/t2*11-,12+;2*11-,12-;;;;;;;;;;;;;;;;;/m..11................./s1
InChIKeyFVTNEUITQIJXKC-ANBNTERMSA-N
MW2802.95 g/mol
LogP32.79
Rot. Bonds29

About 1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)

1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine) (PubChem CID 164983686) has the molecular formula C166H369F3N26O and a molecular weight of 2802.95 g/mol. Its IUPAC name is 1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine).

Molecular Properties

Compound Name1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)
PubChem CID164983686
Molecular FormulaC166H369F3N26O
Molecular Weight2802.95 g/mol
Exact Mass2800.96
IUPAC Name1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)
SMILESCC.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)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.CCOC.CF
InChIInChI=1S/4C12H26N2.2C11H24N2.2C11H23N.6C10H22N2.C3H8O.C2H4F2.4C2H6.CH3F/c4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;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;1-3-4-2;1-2(3)4;5*1-2/h4*9-12H,7-8H2,1-6H3;2*9-11H,6-8H2,1-5H3;2*9-11H,5-8H2,1-4H3;6*9-10H,5-8H2,1-4H3;3H2,1-2H3;2H,1H3;4*1-2H3;1H3/t2*11-,12+;2*11-,12-;;;;;;;;;;;;;;;;;/m..11................./s1
InChIKeyFVTNEUITQIJXKC-ANBNTERMSA-N
XLogP32.79
TPSA93.47 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002802.95
LogP ≤ 532.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine) with MolForge

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Related Compounds

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
bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 164980756
(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 158704033
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
ethane;propan-2-ylcyclohexane;1-propan-2-ylpiperidine
CID 159094239
1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine
CID 143713816
ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine
CID 160904536
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
1,4-di(propan-2-yl)piperidine
CID 21303253
3-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 134456922
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);methane
CID 159687749
1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 159641961

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)?
The IUPAC name of 1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine) (CID 164983686) is 1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine).
What is the SMILES notation for 1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)?
The canonical SMILES for 1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;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)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.CCOC.CF.
What is the InChIKey of 1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)?
The InChIKey is FVTNEUITQIJXKC-ANBNTERMSA-N. The full InChI is InChI=1S/4C12H26N2.2C11H24N2.2C11H23N.6C10H22N2.C3H8O.C2H4F2.4C2H6.CH3F/c4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;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;1-3-4-2;1-2(3)4;5*1-2/h4*9-12H,7-8H2,1-6H3;2*9-11H,6-8H2,1-5H3;2*9-11H,5-8H2,1-4H3;6*9-10H,5-8H2,1-4H3;3H2,1-2H3;2H,1H3;4*1-2H3;1H3/t2*11-,12+;2*11-,12-;;;;;;;;;;;;;;;;;/m..11................./s1.
What are the key properties of 1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)?
1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine) has a molecular weight of 2802.95 g/mol, XLogP of 32.79, 29 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,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;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine) is sourced from PubChem (CID 164983686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).