2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole

C12H9F7N2 — CID 10470855

IUPAC2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C12H9F7N2/c13-10(14,11(15,16)12(17,18)19)9(7-3-1-5-20-7)8-4-2-6-21-8/h1-6,9,20-21H
InChIKeyWUSAKTXDNLIMLJ-UHFFFAOYSA-N
MW314.20 g/mol
LogP4.31
Rot. Bonds4

About 2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole

2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole (PubChem CID 10470855) has the molecular formula C12H9F7N2 and a molecular weight of 314.20 g/mol. Its IUPAC name is 2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole
PubChem CID10470855
Molecular FormulaC12H9F7N2
Molecular Weight314.20 g/mol
Exact Mass314.07
IUPAC Name2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C12H9F7N2/c13-10(14,11(15,16)12(17,18)19)9(7-3-1-5-20-7)8-4-2-6-21-8/h1-6,9,20-21H
InChIKeyWUSAKTXDNLIMLJ-UHFFFAOYSA-N
XLogP4.31
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole?
The IUPAC name of 2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole (CID 10470855) is 2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole.
What is the SMILES notation for 2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole?
The canonical SMILES for 2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole is FC(F)(F)C(F)(F)C(F)(F)C(c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of 2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole?
The InChIKey is WUSAKTXDNLIMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F7N2/c13-10(14,11(15,16)12(17,18)19)9(7-3-1-5-20-7)8-4-2-6-21-8/h1-6,9,20-21H.
What are the key properties of 2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole?
2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole has a molecular weight of 314.20 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,3,3,4,4,4-heptafluoro-1-(1H-pyrrol-2-yl)butyl]-1H-pyrrole is sourced from PubChem (CID 10470855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).