1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine

C11F21N — CID 13251104

IUPAC1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine
SMILESFC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(N2C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(F)F
InChIInChI=1S/C11F21N/c12-1(9(26,27)28)2(13,14)4(17,18)5(19,20)8(25,3(1,15)16)33-10(29,30)6(21,22)7(23,24)11(33,31)32
InChIKeyHJXQXRIIMNELFX-UHFFFAOYSA-N
MW545.09 g/mol
LogP6.25
Rot. Bonds1

About 1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine

1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine (PubChem CID 13251104) has the molecular formula C11F21N and a molecular weight of 545.09 g/mol. Its IUPAC name is 1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine.

Molecular Properties

Compound Name1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine
PubChem CID13251104
Molecular FormulaC11F21N
Molecular Weight545.09 g/mol
Exact Mass544.97
IUPAC Name1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine
SMILESFC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(N2C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(F)F
InChIInChI=1S/C11F21N/c12-1(9(26,27)28)2(13,14)4(17,18)5(19,20)8(25,3(1,15)16)33-10(29,30)6(21,22)7(23,24)11(33,31)32
InChIKeyHJXQXRIIMNELFX-UHFFFAOYSA-N
XLogP6.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.09
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine?
The IUPAC name of 1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine (CID 13251104) is 1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine.
What is the SMILES notation for 1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine?
The canonical SMILES for 1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine is FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(N2C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(F)F.
What is the InChIKey of 1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine?
The InChIKey is HJXQXRIIMNELFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F21N/c12-1(9(26,27)28)2(13,14)4(17,18)5(19,20)8(25,3(1,15)16)33-10(29,30)6(21,22)7(23,24)11(33,31)32.
What are the key properties of 1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine?
1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine has a molecular weight of 545.09 g/mol, XLogP of 6.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine is sourced from PubChem (CID 13251104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).