N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon

C7H9FN2Xe — CID 89251951

IUPACN-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon
SMILESCC/N=C/C1(F)C=CC=N1.[Xe]
InChIInChI=1S/C7H9FN2.Xe/c1-2-9-6-7(8)4-3-5-10-7;/h3-6H,2H2,1H3;/b9-6+;
InChIKeyUQKSVPBLRWLDBU-MLBSPLJJSA-N
MW271.45 g/mol
LogP1.38
Rot. Bonds2

About N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon

N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon (PubChem CID 89251951) has the molecular formula C7H9FN2Xe and a molecular weight of 271.45 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon
PubChem CID89251951
Molecular FormulaC7H9FN2Xe
Molecular Weight271.45 g/mol
Exact Mass271.98
IUPAC NameN-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon
SMILESCC/N=C/C1(F)C=CC=N1.[Xe]
InChIInChI=1S/C7H9FN2.Xe/c1-2-9-6-7(8)4-3-5-10-7;/h3-6H,2H2,1H3;/b9-6+;
InChIKeyUQKSVPBLRWLDBU-MLBSPLJJSA-N
XLogP1.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.38
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 N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon?
The IUPAC name of N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon (CID 89251951) is N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon.
What is the SMILES notation for N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon?
The canonical SMILES for N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon is CC/N=C/C1(F)C=CC=N1.[Xe].
What is the InChIKey of N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon?
The InChIKey is UQKSVPBLRWLDBU-MLBSPLJJSA-N. The full InChI is InChI=1S/C7H9FN2.Xe/c1-2-9-6-7(8)4-3-5-10-7;/h3-6H,2H2,1H3;/b9-6+;.
What are the key properties of N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon?
N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon has a molecular weight of 271.45 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon is sourced from PubChem (CID 89251951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).