1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole

C13H8F6N2 — CID 177480515

IUPAC1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole
SMILESFC1(F)C(n2cccc2)=C(n2cccc2)C(F)(F)C1(F)F
InChIInChI=1S/C13H8F6N2/c14-11(15)9(20-5-1-2-6-20)10(21-7-3-4-8-21)12(16,17)13(11,18)19/h1-8H
InChIKeyRFSJSPWWGMTTKO-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.03
Rot. Bonds2

About 1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole

1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole (PubChem CID 177480515) has the molecular formula C13H8F6N2 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole.

Molecular Properties

Compound Name1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole
PubChem CID177480515
Molecular FormulaC13H8F6N2
Molecular Weight306.21 g/mol
Exact Mass306.06
IUPAC Name1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole
SMILESFC1(F)C(n2cccc2)=C(n2cccc2)C(F)(F)C1(F)F
InChIInChI=1S/C13H8F6N2/c14-11(15)9(20-5-1-2-6-20)10(21-7-3-4-8-21)12(16,17)13(11,18)19/h1-8H
InChIKeyRFSJSPWWGMTTKO-UHFFFAOYSA-N
XLogP4.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole?
The IUPAC name of 1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole (CID 177480515) is 1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole.
What is the SMILES notation for 1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole?
The canonical SMILES for 1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole is FC1(F)C(n2cccc2)=C(n2cccc2)C(F)(F)C1(F)F.
What is the InChIKey of 1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole?
The InChIKey is RFSJSPWWGMTTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N2/c14-11(15)9(20-5-1-2-6-20)10(21-7-3-4-8-21)12(16,17)13(11,18)19/h1-8H.
What are the key properties of 1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole?
1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole has a molecular weight of 306.21 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,4,4,5,5-hexafluoro-2-pyrrol-1-ylcyclopenten-1-yl)pyrrole is sourced from PubChem (CID 177480515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).