1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine

C13H16F9NO — CID 130427150

IUPAC1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine
SMILESFC(N1CCCC1)C(F)(F)C1CCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C13H16F9NO/c14-9(13(20,21)22)11(16,17)7-3-4-8(24-7)12(18,19)10(15)23-5-1-2-6-23/h7-10H,1-6H2
InChIKeyPRCYSRCWDOCENQ-UHFFFAOYSA-N
MW373.26 g/mol
LogP4.10
Rot. Bonds5

About 1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine

1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine (PubChem CID 130427150) has the molecular formula C13H16F9NO and a molecular weight of 373.26 g/mol. Its IUPAC name is 1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine
PubChem CID130427150
Molecular FormulaC13H16F9NO
Molecular Weight373.26 g/mol
Exact Mass373.11
IUPAC Name1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine
SMILESFC(N1CCCC1)C(F)(F)C1CCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C13H16F9NO/c14-9(13(20,21)22)11(16,17)7-3-4-8(24-7)12(18,19)10(15)23-5-1-2-6-23/h7-10H,1-6H2
InChIKeyPRCYSRCWDOCENQ-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 54.10
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-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine?
The IUPAC name of 1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine (CID 130427150) is 1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine.
What is the SMILES notation for 1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine?
The canonical SMILES for 1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine is FC(N1CCCC1)C(F)(F)C1CCC(C(F)(F)C(F)C(F)(F)F)O1.
What is the InChIKey of 1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine?
The InChIKey is PRCYSRCWDOCENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F9NO/c14-9(13(20,21)22)11(16,17)7-3-4-8(24-7)12(18,19)10(15)23-5-1-2-6-23/h7-10H,1-6H2.
What are the key properties of 1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine?
1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine has a molecular weight of 373.26 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine is sourced from PubChem (CID 130427150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).