nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate

C22H33F5N2O4 — CID 91735083

IUPACnonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C22H33F5N2O4/c1-2-3-4-5-6-7-8-15-33-19(31)17-12-10-13-28(17)18(30)16-11-9-14-29(16)20(32)21(23,24)22(25,26)27/h16-17H,2-15H2,1H3
InChIKeyPMKQUSYUEGPHJM-UHFFFAOYSA-N
MW484.51 g/mol
LogP4.46
Rot. Bonds11

About nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate

nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 91735083) has the molecular formula C22H33F5N2O4 and a molecular weight of 484.51 g/mol. Its IUPAC name is nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namenonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
PubChem CID91735083
Molecular FormulaC22H33F5N2O4
Molecular Weight484.51 g/mol
Exact Mass484.24
IUPAC Namenonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C22H33F5N2O4/c1-2-3-4-5-6-7-8-15-33-19(31)17-12-10-13-28(17)18(30)16-11-9-14-29(16)20(32)21(23,24)22(25,26)27/h16-17H,2-15H2,1H3
InChIKeyPMKQUSYUEGPHJM-UHFFFAOYSA-N
XLogP4.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

pentyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 91735081
pentadecyl 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
CID 91721436
tetradecyl 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
CID 91721468
propyl (2S)-1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate
CID 91979210
hexyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 91695515
hexyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 66695142
undecyl 1-acetylpyrrolidine-2-carboxylate
CID 85101195
pentyl 1-[1-(2-chloroethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 91726883
1-O-butyl 2-O-dodecyl pyrrolidine-1,2-dicarboxylate
CID 6424636
2-O-hexyl 1-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 20836886
pentyl 1-(1-prop-2-ynoxycarbonylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylate
CID 91721216
1-O-(2-methoxyethyl) 2-O-octadecyl pyrrolidine-1,2-dicarboxylate
CID 91725946

Frequently Asked Questions

What is the IUPAC name of nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate (CID 91735083) is nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate is CCCCCCCCCOC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate?
The InChIKey is PMKQUSYUEGPHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F5N2O4/c1-2-3-4-5-6-7-8-15-33-19(31)17-12-10-13-28(17)18(30)16-11-9-14-29(16)20(32)21(23,24)22(25,26)27/h16-17H,2-15H2,1H3.
What are the key properties of nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate?
nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate has a molecular weight of 484.51 g/mol, XLogP of 4.46, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 1-[1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 91735083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).