nonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate

C17H26F5NO3 — CID 91735107

IUPACnonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H26F5NO3/c1-2-3-4-5-6-7-8-12-26-14(24)13-10-9-11-23(13)15(25)16(18,19)17(20,21)22/h13H,2-12H2,1H3
InChIKeyIVTPIDXTLZRVPK-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.47
Rot. Bonds10

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

nonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate (PubChem CID 91735107) has the molecular formula C17H26F5NO3 and a molecular weight of 387.39 g/mol. Its IUPAC name is nonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namenonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate
PubChem CID91735107
Molecular FormulaC17H26F5NO3
Molecular Weight387.39 g/mol
Exact Mass387.18
IUPAC Namenonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H26F5NO3/c1-2-3-4-5-6-7-8-12-26-14(24)13-10-9-11-23(13)15(25)16(18,19)17(20,21)22/h13H,2-12H2,1H3
InChIKeyIVTPIDXTLZRVPK-UHFFFAOYSA-N
XLogP4.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of nonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate (CID 91735107) is nonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for nonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for nonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate is CCCCCCCCCOC(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of nonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is IVTPIDXTLZRVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F5NO3/c1-2-3-4-5-6-7-8-12-26-14(24)13-10-9-11-23(13)15(25)16(18,19)17(20,21)22/h13H,2-12H2,1H3.
What are the key properties of nonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate?
nonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 387.39 g/mol, XLogP of 4.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91735107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).