2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole

C8H4F9N — CID 86171779

IUPAC2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc[nH]1
InChIInChI=1S/C8H4F9N/c9-5(10,4-2-1-3-18-4)6(11,12)7(13,14)8(15,16)17/h1-3,18H
InChIKeyVWLDUHPYRVMVQV-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.94
Rot. Bonds3

About 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole

2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole (PubChem CID 86171779) has the molecular formula C8H4F9N and a molecular weight of 285.11 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole
PubChem CID86171779
Molecular FormulaC8H4F9N
Molecular Weight285.11 g/mol
Exact Mass285.02
IUPAC Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc[nH]1
InChIInChI=1S/C8H4F9N/c9-5(10,4-2-1-3-18-4)6(11,12)7(13,14)8(15,16)17/h1-3,18H
InChIKeyVWLDUHPYRVMVQV-UHFFFAOYSA-N
XLogP3.94
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Methylpyrrole
CID 12489
2-Phenylpyrrole
CID 72898
2,4-Dimethylpyrrole
CID 39539
4,5,6,7-Tetrahydroindole
CID 97429
dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796
Pyrrole-2-carbonitrile
CID 138277
3-(Pyridin-2-yl)propan-1-amine
CID 3159614
2-Ethylpyrrole
CID 137075
2-(Pyrrolidin-2-yl)pyridine
CID 2771659
Dipyrromethane
CID 140814
2-tert-butyl-1H-pyrrole
CID 220945
2,3-Dimethyl-1H-pyrrole
CID 39538

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole (CID 86171779) is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc[nH]1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole?
The InChIKey is VWLDUHPYRVMVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F9N/c9-5(10,4-2-1-3-18-4)6(11,12)7(13,14)8(15,16)17/h1-3,18H.
What are the key properties of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole?
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole has a molecular weight of 285.11 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrrole is sourced from PubChem (CID 86171779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).