1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon

C6H7FN2Xe — CID 89252039

IUPAC1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon
SMILESC/N=C/C1(F)C=CC=N1.[Xe]
InChIInChI=1S/C6H7FN2.Xe/c1-8-5-6(7)3-2-4-9-6;/h2-5H,1H3;/b8-5+;
InChIKeyBDNWSKYVYHFPND-HAAWTFQLSA-N
MW257.42 g/mol
LogP0.99
Rot. Bonds1

About 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon

1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon (PubChem CID 89252039) has the molecular formula C6H7FN2Xe and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon.

Molecular Properties

Compound Name1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon
PubChem CID89252039
Molecular FormulaC6H7FN2Xe
Molecular Weight257.42 g/mol
Exact Mass257.96
IUPAC Name1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon
SMILESC/N=C/C1(F)C=CC=N1.[Xe]
InChIInChI=1S/C6H7FN2.Xe/c1-8-5-6(7)3-2-4-9-6;/h2-5H,1H3;/b8-5+;
InChIKeyBDNWSKYVYHFPND-HAAWTFQLSA-N
XLogP0.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon?
The IUPAC name of 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon (CID 89252039) is 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon.
What is the SMILES notation for 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon?
The canonical SMILES for 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon is C/N=C/C1(F)C=CC=N1.[Xe].
What is the InChIKey of 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon?
The InChIKey is BDNWSKYVYHFPND-HAAWTFQLSA-N. The full InChI is InChI=1S/C6H7FN2.Xe/c1-8-5-6(7)3-2-4-9-6;/h2-5H,1H3;/b8-5+;.
What are the key properties of 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon?
1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon has a molecular weight of 257.42 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon is sourced from PubChem (CID 89252039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).