1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine

C12H10F13NO — CID 170513623

IUPAC1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine
SMILESFC(F)=C(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)N1CCCCC1
InChIInChI=1S/C12H10F13NO/c13-6(7(14)15)8(16,17)27-9(10(18,19)20,11(21,22)23)12(24,25)26-4-2-1-3-5-26/h1-5H2
InChIKeyZYXDSVSQOYHFLY-UHFFFAOYSA-N
MW431.19 g/mol
LogP5.62
Rot. Bonds5

About 1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine

1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine (PubChem CID 170513623) has the molecular formula C12H10F13NO and a molecular weight of 431.19 g/mol. Its IUPAC name is 1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine.

Molecular Properties

Compound Name1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine
PubChem CID170513623
Molecular FormulaC12H10F13NO
Molecular Weight431.19 g/mol
Exact Mass431.06
IUPAC Name1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine
SMILESFC(F)=C(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)N1CCCCC1
InChIInChI=1S/C12H10F13NO/c13-6(7(14)15)8(16,17)27-9(10(18,19)20,11(21,22)23)12(24,25)26-4-2-1-3-5-26/h1-5H2
InChIKeyZYXDSVSQOYHFLY-UHFFFAOYSA-N
XLogP5.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.19
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine
CID 142605367
1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane
CID 170513614
4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine
CID 138750246
1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine
CID 140998804
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine
CID 54109001
1-[3-(dichloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine
CID 20579833
1,1,2,3,4,4,5,5,5-nonafluoro-1-(1,1,2,3,4,4,5,5,5-nonafluoropent-2-enoxy)pent-2-ene
CID 141460580
2,2-difluoro-2-piperidin-1-ylacetyl fluoride
CID 71775720
1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine
CID 138726115
1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]prop-1-ene
CID 175690413
O-(1,1,2,3,3-pentafluoroprop-2-enyl)hydroxylamine
CID 22378279
3,3,4,4-tetrafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)but-1-ene
CID 175690130

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine?
The IUPAC name of 1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine (CID 170513623) is 1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine.
What is the SMILES notation for 1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine?
The canonical SMILES for 1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine is FC(F)=C(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)N1CCCCC1.
What is the InChIKey of 1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine?
The InChIKey is ZYXDSVSQOYHFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F13NO/c13-6(7(14)15)8(16,17)27-9(10(18,19)20,11(21,22)23)12(24,25)26-4-2-1-3-5-26/h1-5H2.
What are the key properties of 1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine?
1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine has a molecular weight of 431.19 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(trifluoromethyl)propyl]piperidine is sourced from PubChem (CID 170513623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).