2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole

C7H4F7N — CID 14026653

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1ccc[nH]1
InChIInChI=1S/C7H4F7N/c8-5(9,4-2-1-3-15-4)6(10,11)7(12,13)14/h1-3,15H
InChIKeyDQZLODWGSHAXSQ-UHFFFAOYSA-N
MW235.10 g/mol
LogP3.30
Rot. Bonds2

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole

2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole (PubChem CID 14026653) has the molecular formula C7H4F7N and a molecular weight of 235.10 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole
PubChem CID14026653
Molecular FormulaC7H4F7N
Molecular Weight235.10 g/mol
Exact Mass235.02
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1ccc[nH]1
InChIInChI=1S/C7H4F7N/c8-5(9,4-2-1-3-15-4)6(10,11)7(12,13)14/h1-3,15H
InChIKeyDQZLODWGSHAXSQ-UHFFFAOYSA-N
XLogP3.30
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(1,1,2,2,3,3,3-heptafluoropropyl)-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

Related Compounds

2-Methylpyrrole
CID 12489
2-Phenylpyrrole
CID 72898
2,4-Dimethylpyrrole
CID 39539
dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796
2-(Difluoromethyl)pyridine
CID 639501
Pyrrole-2-carbonitrile
CID 138277
2-Ethylpyrrole
CID 137075
Dipyrromethane
CID 140814
2-tert-butyl-1H-pyrrole
CID 220945
2,3-Dimethyl-1H-pyrrole
CID 39538
N-methyl,N-(propargyl),N-(pyrrol-2-ylmethyl)amine
CID 10464479
N-(propargyl),N-(pyrrol-2-ylmethyl)amine
CID 16110306

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole (CID 14026653) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole is FC(F)(F)C(F)(F)C(F)(F)c1ccc[nH]1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole?
The InChIKey is DQZLODWGSHAXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F7N/c8-5(9,4-2-1-3-15-4)6(10,11)7(12,13)14/h1-3,15H.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole has a molecular weight of 235.10 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole is sourced from PubChem (CID 14026653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).