1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine

C14H16F11NO — CID 130427280

IUPAC1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N2CCCC2)C(F)(F)F)O1
InChIInChI=1S/C14H16F11NO/c15-9(13(20,21)22)12(18,19)8-4-3-7(27-8)11(17,14(23,24)25)10(16)26-5-1-2-6-26/h7-10H,1-6H2
InChIKeySHENMCARQZAVPN-UHFFFAOYSA-N
MW423.27 g/mol
LogP4.73
Rot. Bonds5

About 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine

1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine (PubChem CID 130427280) has the molecular formula C14H16F11NO and a molecular weight of 423.27 g/mol. Its IUPAC name is 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine.

Molecular Properties

Compound Name1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine
PubChem CID130427280
Molecular FormulaC14H16F11NO
Molecular Weight423.27 g/mol
Exact Mass423.11
IUPAC Name1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N2CCCC2)C(F)(F)F)O1
InChIInChI=1S/C14H16F11NO/c15-9(13(20,21)22)12(18,19)8-4-3-7(27-8)11(17,14(23,24)25)10(16)26-5-1-2-6-26/h7-10H,1-6H2
InChIKeySHENMCARQZAVPN-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 54.73
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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Frequently Asked Questions

What is the IUPAC name of 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine?
The IUPAC name of 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine (CID 130427280) is 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine.
What is the SMILES notation for 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine?
The canonical SMILES for 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine is FC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N2CCCC2)C(F)(F)F)O1.
What is the InChIKey of 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine?
The InChIKey is SHENMCARQZAVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F11NO/c15-9(13(20,21)22)12(18,19)8-4-3-7(27-8)11(17,14(23,24)25)10(16)26-5-1-2-6-26/h7-10H,1-6H2.
What are the key properties of 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine?
1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine has a molecular weight of 423.27 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]pyrrolidine is sourced from PubChem (CID 130427280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).