bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine)

C178H380F6N18 — CID 164985381

IUPACbis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine)
SMILESCC.CC.CC.CC.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C)CCN1C(C)C.CC(C)C1CN(C)CCN1C(C)C.CF.CF
InChIInChI=1S/2C11H24N2.6C11H23N.2C10H19F2N.6C10H21N.4C2H6.2CH3F/c2*1-9(2)11-8-12(5)6-7-13(11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;4*1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-7(2)9-5-13(8(3)4)6-10(9,11)12;6*1-8(2)10-5-6-11(7-10)9(3)4;6*1-2/h2*9-11H,6-8H2,1-5H3;6*9-11H,5-8H2,1-4H3;2*7-9H,5-6H2,1-4H3;6*8-10H,5-7H2,1-4H3;4*1-2H3;2*1H3
InChIKeyGBVVFCYGGUMJJO-UHFFFAOYSA-N
MW2887.11 g/mol
LogP45.23
Rot. Bonds32

About bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine)

bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine) (PubChem CID 164985381) has the molecular formula C178H380F6N18 and a molecular weight of 2887.11 g/mol. Its IUPAC name is bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine).

Molecular Properties

Compound Namebis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine)
PubChem CID164985381
Molecular FormulaC178H380F6N18
Molecular Weight2887.11 g/mol
Exact Mass2885.02
IUPAC Namebis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine)
SMILESCC.CC.CC.CC.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C)CCN1C(C)C.CC(C)C1CN(C)CCN1C(C)C.CF.CF
InChIInChI=1S/2C11H24N2.6C11H23N.2C10H19F2N.6C10H21N.4C2H6.2CH3F/c2*1-9(2)11-8-12(5)6-7-13(11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;4*1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-7(2)9-5-13(8(3)4)6-10(9,11)12;6*1-8(2)10-5-6-11(7-10)9(3)4;6*1-2/h2*9-11H,6-8H2,1-5H3;6*9-11H,5-8H2,1-4H3;2*7-9H,5-6H2,1-4H3;6*8-10H,5-7H2,1-4H3;4*1-2H3;2*1H3
InChIKeyGBVVFCYGGUMJJO-UHFFFAOYSA-N
XLogP45.23
TPSA58.32 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002887.11
LogP ≤ 545.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine) with MolForge

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Related Compounds

1-Tert-butyl-4,4-difluoro-2,2-dimethylpyrrolidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-2,4-dimethylpyrrolidine;1-tert-butyl-4-fluoro-2,4-dimethylpyrrolidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;bis(1-tert-butyl-2-methylpiperidine);bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-2-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidine
CID 157767398
6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpyrrolidine);bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);bis((3S)-3-methyl-1-propan-2-ylpyrrolidine);(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 157835252
4-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-1-methylpiperidine;4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine;4-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1-methylpiperidine;4-[(3R)-3-fluoropyrrolidin-1-yl]-1-methylpiperidine;4-[(3S)-3-fluoropyrrolidin-1-yl]-1-methylpiperidine;3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane;1-methyl-4-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidine;1-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidine
CID 160292066
3,3-Difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(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;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
CID 164952074
Tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);pentakis(1,3-di(propan-2-yl)azetidine);1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
CID 164962937
3,3-Difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine;bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
CID 165012816
Bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
CID 165024952
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)azetidine);tetrakis(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;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
CID 167579403
Bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 167581014
Bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine
CID 167602523
3,3-Difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
CID 167609710
Bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 168417152

Frequently Asked Questions

What is the IUPAC name of bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine)?
The IUPAC name of bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine) (CID 164985381) is bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine).
What is the SMILES notation for bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine)?
The canonical SMILES for bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine) is CC.CC.CC.CC.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C)CCN1C(C)C.CC(C)C1CN(C)CCN1C(C)C.CF.CF.
What is the InChIKey of bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine)?
The InChIKey is GBVVFCYGGUMJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H24N2.6C11H23N.2C10H19F2N.6C10H21N.4C2H6.2CH3F/c2*1-9(2)11-8-12(5)6-7-13(11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;4*1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-7(2)9-5-13(8(3)4)6-10(9,11)12;6*1-8(2)10-5-6-11(7-10)9(3)4;6*1-2/h2*9-11H,6-8H2,1-5H3;6*9-11H,5-8H2,1-4H3;2*7-9H,5-6H2,1-4H3;6*8-10H,5-7H2,1-4H3;4*1-2H3;2*1H3.
What are the key properties of bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine)?
bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine) has a molecular weight of 2887.11 g/mol, XLogP of 45.23, 32 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine) is sourced from PubChem (CID 164985381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).