2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine

C7HF14N — CID 101245741

IUPAC2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine
SMILESFC(C(F)(F)F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7HF14N/c8-1(2(9,10)11)3(12,13)22-6(18,19)4(14,15)5(16,17)7(22,20)21/h1H
InChIKeyMGYIPDWCTCRMPW-UHFFFAOYSA-N
MW365.06 g/mol
LogP4.25
Rot. Bonds2

About 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine

2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine (PubChem CID 101245741) has the molecular formula C7HF14N and a molecular weight of 365.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine
PubChem CID101245741
Molecular FormulaC7HF14N
Molecular Weight365.06 g/mol
Exact Mass364.99
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine
SMILESFC(C(F)(F)F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7HF14N/c8-1(2(9,10)11)3(12,13)22-6(18,19)4(14,15)5(16,17)7(22,20)21/h1H
InChIKeyMGYIPDWCTCRMPW-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.06
LogP ≤ 54.25
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 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine (CID 101245741) is 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine is FC(C(F)(F)F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine?
The InChIKey is MGYIPDWCTCRMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF14N/c8-1(2(9,10)11)3(12,13)22-6(18,19)4(14,15)5(16,17)7(22,20)21/h1H.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine?
2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine has a molecular weight of 365.06 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine is sourced from PubChem (CID 101245741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).