2,6-Dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine

C10H16F6N2 — CID 117841645

IUPAC2,6-dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine
SMILESCC1CN(CC(N1CC(F)(F)F)C)CC(F)(F)F
InChIInChI=1S/C10H16F6N2/c1-7-3-17(5-9(11,12)13)4-8(2)18(7)6-10(14,15)16/h7-8H,3-6H2,1-2H3
InChIKeyLYPVOQVGSRNTQW-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.20
Rot. Bonds2

About 2,6-Dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine

2,6-Dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine (PubChem CID 117841645) has the molecular formula C10H16F6N2 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2,6-dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2,6-Dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine
PubChem CID117841645
Molecular FormulaC10H16F6N2
Molecular Weight278.24 g/mol
Exact Mass278.12
IUPAC Name2,6-dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine
SMILESCC1CN(CC(N1CC(F)(F)F)C)CC(F)(F)F
InChIInChI=1S/C10H16F6N2/c1-7-3-17(5-9(11,12)13)4-8(2)18(7)6-10(14,15)16/h7-8H,3-6H2,1-2H3
InChIKeyLYPVOQVGSRNTQW-UHFFFAOYSA-N
XLogP3.20
TPSA6.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity263

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,4-Piperazinediethanamine, alpha,beta'-dimethyl-
CID 3086046
N~1~,N~1~,N~2~-Trimethyl-N~2~-(2,2,3,3-tetrafluoropropyl)ethane-1,2-diamine
CID 13828051
1-Propan-2-yl-4-(trifluoromethyl)piperazine;dihydrochloride
CID 20283037
1-Propan-2-yl-4-(trifluoromethyl)piperazine
CID 20283038
1-(3-Fluoropropyl)-4-methylpiperazine
CID 20649680
N-[2-[butan-2-yl(propyl)amino]ethyl]-N'-(1,1-difluoroethyl)-1,1-difluoro-N,N'-bis(1,1,2,2,2-pentafluoroethyl)ethane-1,2-diamine
CID 21026477
1-(2,2-Difluoroethyl)-4-(2-methylpropyl)piperazine
CID 48942244
Fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine
CID 54384968
1-Methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 57639720
4-Ethyl-1-methyl-1-(1,1,2,2-tetrafluoroethyl)piperazin-1-ium
CID 57967219
1-Propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
CID 58029464
1-(2-Fluoroethyl)-4-(propan-2-yl)piperazine
CID 58029889

Frequently Asked Questions

What is the IUPAC name of 2,6-Dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2,6-Dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine (CID 117841645) is 2,6-dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2,6-Dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2,6-Dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine is CC1CN(CC(N1CC(F)(F)F)C)CC(F)(F)F.
What is the InChIKey of 2,6-Dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine?
The InChIKey is LYPVOQVGSRNTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N2/c1-7-3-17(5-9(11,12)13)4-8(2)18(7)6-10(14,15)16/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,6-Dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine?
2,6-Dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine has a molecular weight of 278.24 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-Dimethyl-1,4-bis(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 117841645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).