2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine

C8H5F13N2 — CID 130266565

IUPAC2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine
SMILESCN1C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)CF)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F13N2/c1-22-5(14,15)7(18,19)23(8(20,21)6(22,16)17)4(12,13)3(10,11)2-9/h2H2,1H3
InChIKeyMMRNSZUPTMVXIX-UHFFFAOYSA-N
MW376.12 g/mol
LogP3.80
Rot. Bonds3

About 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine

2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine (PubChem CID 130266565) has the molecular formula C8H5F13N2 and a molecular weight of 376.12 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine
PubChem CID130266565
Molecular FormulaC8H5F13N2
Molecular Weight376.12 g/mol
Exact Mass376.02
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine
SMILESCN1C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)CF)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F13N2/c1-22-5(14,15)7(18,19)23(8(20,21)6(22,16)17)4(12,13)3(10,11)2-9/h2H2,1H3
InChIKeyMMRNSZUPTMVXIX-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.12
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 143490804
2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine
CID 12597073
1,1,1,2,2,3-hexafluoropropane;hydrate
CID 23202835
1,1,1,4,4,5,5,6-octafluorohex-2-yne
CID 87288466
1,1,1,2,2,3-hexafluoropropane;1,1,1,2-tetrafluoroethane
CID 22481284
2,2,3,3,4,4,6,6,7,7-decafluoro-5-(fluoromethyl)-1-(trifluoromethyl)azepane
CID 130266502
2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine
CID 14172428
2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal
CID 174910372
2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol
CID 135365570
benzene;1,1,1,2,2,3-hexafluoropropane
CID 174871596
1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane
CID 169196308
2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane
CID 59628153

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine (CID 130266565) is 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine is CN1C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)CF)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine?
The InChIKey is MMRNSZUPTMVXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F13N2/c1-22-5(14,15)7(18,19)23(8(20,21)6(22,16)17)4(12,13)3(10,11)2-9/h2H2,1H3.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine?
2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine has a molecular weight of 376.12 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine is sourced from PubChem (CID 130266565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).