2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine

C11F21N — CID 13251100

IUPAC2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine
SMILESFC(F)(F)C1(F)N(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F21N/c12-1(13)2(14,15)4(18,19)8(26,5(20,21)3(1,16)17)33-9(27,10(28,29)30)6(22,23)7(24,25)11(33,31)32
InChIKeyYKTFTGOMWHHDMT-UHFFFAOYSA-N
MW545.09 g/mol
LogP6.25
Rot. Bonds1

About 2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine

2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine (PubChem CID 13251100) has the molecular formula C11F21N and a molecular weight of 545.09 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine
PubChem CID13251100
Molecular FormulaC11F21N
Molecular Weight545.09 g/mol
Exact Mass544.97
IUPAC Name2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine
SMILESFC(F)(F)C1(F)N(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F21N/c12-1(13)2(14,15)4(18,19)8(26,5(20,21)3(1,16)17)33-9(27,10(28,29)30)6(22,23)7(24,25)11(33,31)32
InChIKeyYKTFTGOMWHHDMT-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 2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine?
The IUPAC name of 2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine (CID 13251100) is 2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine.
What is the SMILES notation for 2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine?
The canonical SMILES for 2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine is FC(F)(F)C1(F)N(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine?
The InChIKey is YKTFTGOMWHHDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F21N/c12-1(13)2(14,15)4(18,19)8(26,5(20,21)3(1,16)17)33-9(27,10(28,29)30)6(22,23)7(24,25)11(33,31)32.
What are the key properties of 2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine?
2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine 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 2,2,3,3,4,4,5-heptafluoro-5-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)pyrrolidine is sourced from PubChem (CID 13251100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).