5-(6-fluorohexyl)-2H-pyrrole

C10H16FN — CID 54509639

IUPAC5-(6-fluorohexyl)-2H-pyrrole
SMILESFCCCCCCC1=NCC=C1
InChIInChI=1S/C10H16FN/c11-8-4-2-1-3-6-10-7-5-9-12-10/h5,7H,1-4,6,8-9H2
InChIKeyDFTILKIYCUMOOJ-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.92
Rot. Bonds6

About 5-(6-fluorohexyl)-2H-pyrrole

5-(6-fluorohexyl)-2H-pyrrole (PubChem CID 54509639) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 5-(6-fluorohexyl)-2H-pyrrole.

Molecular Properties

Compound Name5-(6-fluorohexyl)-2H-pyrrole
PubChem CID54509639
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name5-(6-fluorohexyl)-2H-pyrrole
SMILESFCCCCCCC1=NCC=C1
InChIInChI=1S/C10H16FN/c11-8-4-2-1-3-6-10-7-5-9-12-10/h5,7H,1-4,6,8-9H2
InChIKeyDFTILKIYCUMOOJ-UHFFFAOYSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
(2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole
CID 101378278
2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 102308509
5-undec-10-enyl-2H-pyrrole
CID 54135361
8-(2H-pyrrol-5-yl)octanenitrile
CID 54148804
5-pentyl-2H-pyrrole
CID 58270101
5-nonyl-2H-pyrrole
CID 67015272
5-hexyl-2H-pyrrole
CID 67711414
5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole
CID 70622203
N-prop-2-enylcyclopent-2-en-1-imine
CID 123210425
2-butyl-N-prop-2-enylcyclohex-2-en-1-imine
CID 123816553
N-methyldodec-2-en-4-imine
CID 123853785

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluorohexyl)-2H-pyrrole?
The IUPAC name of 5-(6-fluorohexyl)-2H-pyrrole (CID 54509639) is 5-(6-fluorohexyl)-2H-pyrrole.
What is the SMILES notation for 5-(6-fluorohexyl)-2H-pyrrole?
The canonical SMILES for 5-(6-fluorohexyl)-2H-pyrrole is FCCCCCCC1=NCC=C1.
What is the InChIKey of 5-(6-fluorohexyl)-2H-pyrrole?
The InChIKey is DFTILKIYCUMOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c11-8-4-2-1-3-6-10-7-5-9-12-10/h5,7H,1-4,6,8-9H2.
What are the key properties of 5-(6-fluorohexyl)-2H-pyrrole?
5-(6-fluorohexyl)-2H-pyrrole has a molecular weight of 169.24 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluorohexyl)-2H-pyrrole is sourced from PubChem (CID 54509639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).