lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole

C10H7FLiN — CID 177423920

IUPAClithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole
SMILESFc1[c-]cccc1-n1cccc1.[Li+]
InChIInChI=1S/C10H7FN.Li/c11-9-5-1-2-6-10(9)12-7-3-4-8-12;/h1-4,6-8H;/q-1;+1
InChIKeyNIGJPLDJRKAYTJ-UHFFFAOYSA-N
MW167.11 g/mol
LogP-0.58
Rot. Bonds1

About lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole

lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole (PubChem CID 177423920) has the molecular formula C10H7FLiN and a molecular weight of 167.11 g/mol. Its IUPAC name is lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole.

Molecular Properties

Compound Namelithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole
PubChem CID177423920
Molecular FormulaC10H7FLiN
Molecular Weight167.11 g/mol
Exact Mass167.07
IUPAC Namelithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole
SMILESFc1[c-]cccc1-n1cccc1.[Li+]
InChIInChI=1S/C10H7FN.Li/c11-9-5-1-2-6-10(9)12-7-3-4-8-12;/h1-4,6-8H;/q-1;+1
InChIKeyNIGJPLDJRKAYTJ-UHFFFAOYSA-N
XLogP-0.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole?
The IUPAC name of lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole (CID 177423920) is lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole.
What is the SMILES notation for lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole?
The canonical SMILES for lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole is Fc1[c-]cccc1-n1cccc1.[Li+].
What is the InChIKey of lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole?
The InChIKey is NIGJPLDJRKAYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN.Li/c11-9-5-1-2-6-10(9)12-7-3-4-8-12;/h1-4,6-8H;/q-1;+1.
What are the key properties of lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole?
lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole has a molecular weight of 167.11 g/mol, XLogP of -0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole is sourced from PubChem (CID 177423920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).