1H-pyrrole;hydrochloride;hydrofluoride

C4H7ClFN — CID 158001097

IUPAC1H-pyrrole;hydrochloride;hydrofluoride
SMILESCl.F.c1cc[nH]c1
InChIInChI=1S/C4H5N.ClH.FH/c1-2-4-5-3-1;;/h1-5H;2*1H
InChIKeyODWCNTILLMJFMK-UHFFFAOYSA-N
MW123.56 g/mol
LogP1.59
Rot. Bonds

About 1H-pyrrole;hydrochloride;hydrofluoride

1H-pyrrole;hydrochloride;hydrofluoride (PubChem CID 158001097) has the molecular formula C4H7ClFN and a molecular weight of 123.56 g/mol. Its IUPAC name is 1H-pyrrole;hydrochloride;hydrofluoride.

Molecular Properties

Compound Name1H-pyrrole;hydrochloride;hydrofluoride
PubChem CID158001097
Molecular FormulaC4H7ClFN
Molecular Weight123.56 g/mol
Exact Mass123.03
IUPAC Name1H-pyrrole;hydrochloride;hydrofluoride
SMILESCl.F.c1cc[nH]c1
InChIInChI=1S/C4H5N.ClH.FH/c1-2-4-5-3-1;;/h1-5H;2*1H
InChIKeyODWCNTILLMJFMK-UHFFFAOYSA-N
XLogP1.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.56
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole;hydrochloride;hydrofluoride?
The IUPAC name of 1H-pyrrole;hydrochloride;hydrofluoride (CID 158001097) is 1H-pyrrole;hydrochloride;hydrofluoride.
What is the SMILES notation for 1H-pyrrole;hydrochloride;hydrofluoride?
The canonical SMILES for 1H-pyrrole;hydrochloride;hydrofluoride is Cl.F.c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole;hydrochloride;hydrofluoride?
The InChIKey is ODWCNTILLMJFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.ClH.FH/c1-2-4-5-3-1;;/h1-5H;2*1H.
What are the key properties of 1H-pyrrole;hydrochloride;hydrofluoride?
1H-pyrrole;hydrochloride;hydrofluoride has a molecular weight of 123.56 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole;hydrochloride;hydrofluoride is sourced from PubChem (CID 158001097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).