1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine

C15H18F12N2O — CID 130427264

IUPAC1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
SMILESFC(N1CCN(C(F)(F)F)CC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C15H18F12N2O/c16-10(14(22,23)24)12(18,19)8-2-1-3-9(30-8)13(20,21)11(17)28-4-6-29(7-5-28)15(25,26)27/h8-11H,1-7H2
InChIKeyMHNHUOCTDZKODG-UHFFFAOYSA-N
MW470.30 g/mol
LogP4.53
Rot. Bonds5

About 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine

1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine (PubChem CID 130427264) has the molecular formula C15H18F12N2O and a molecular weight of 470.30 g/mol. Its IUPAC name is 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
PubChem CID130427264
Molecular FormulaC15H18F12N2O
Molecular Weight470.30 g/mol
Exact Mass470.12
IUPAC Name1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
SMILESFC(N1CCN(C(F)(F)F)CC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C15H18F12N2O/c16-10(14(22,23)24)12(18,19)8-2-1-3-9(30-8)13(20,21)11(17)28-4-6-29(7-5-28)15(25,26)27/h8-11H,1-7H2
InChIKeyMHNHUOCTDZKODG-UHFFFAOYSA-N
XLogP4.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.30
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine;hydrofluoride
CID 161145766
4-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]-2,6-bis(trifluoromethyl)morpholine
CID 130427257
1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine
CID 130427250
1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
CID 137452158
4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine
CID 130427251
1,1,1,3,3-pentafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)propan-2-amine
CID 130427256
1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]pyrrolidine
CID 137452160
4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine
CID 145366216
1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxepan-2-yl]ethyl]azepane
CID 145366235
1-(1,2-difluoropropyl)-4-(trifluoromethyl)piperazine
CID 155217298
1-propan-2-yl-4-(trifluoromethyl)-1,4-diazepane
CID 155312343
5-(1,1,2,3,3,3-hexafluoropropyl)-2-(1,1,2-trifluoro-2-morpholin-4-ylethyl)-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine
CID 175738913

Frequently Asked Questions

What is the IUPAC name of 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine (CID 130427264) is 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine is FC(N1CCN(C(F)(F)F)CC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.
What is the InChIKey of 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine?
The InChIKey is MHNHUOCTDZKODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F12N2O/c16-10(14(22,23)24)12(18,19)8-2-1-3-9(30-8)13(20,21)11(17)28-4-6-29(7-5-28)15(25,26)27/h8-11H,1-7H2.
What are the key properties of 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine?
1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine has a molecular weight of 470.30 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 130427264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).