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

C7H9FN2 — CID 89251952

IUPACN-ethyl-1-(2-fluoropyrrol-2-yl)methanimine
SMILESCC/N=C/C1(F)C=CC=N1
InChIInChI=1S/C7H9FN2/c1-2-9-6-7(8)4-3-5-10-7/h3-6H,2H2,1H3/b9-6+
InChIKeyOGLFSRDFWUVJSR-RMKNXTFCSA-N
MW140.16 g/mol
LogP1.38
Rot. Bonds2

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

N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine (PubChem CID 89251952) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoropyrrol-2-yl)methanimine
PubChem CID89251952
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC NameN-ethyl-1-(2-fluoropyrrol-2-yl)methanimine
SMILESCC/N=C/C1(F)C=CC=N1
InChIInChI=1S/C7H9FN2/c1-2-9-6-7(8)4-3-5-10-7/h3-6H,2H2,1H3/b9-6+
InChIKeyOGLFSRDFWUVJSR-RMKNXTFCSA-N
XLogP1.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
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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Related Compounds

2-methyl-2H-pyrrole
CID 18970006
3-fluoro-N-methyl-2H-pyridin-5-imine
CID 123433010
4-fluoro-2-methyl-2H-pyrrole
CID 148435383
(E)-3-fluoro-N-methylpent-2-en-1-imine
CID 156807601
1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine
CID 89251919
1-(2-fluoropyrrol-2-yl)-N-methylmethanimine
CID 89252040
2,2-Dimethylpyrrole
CID 57914006
2-ethyl-2H-pyrrole
CID 67478601
N,N'-dimethylpent-2-ene-1,5-diimine
CID 85959556
1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon
CID 89251918
N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon
CID 89251951
1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon
CID 89252039

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine?
The IUPAC name of N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine (CID 89251952) is N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine.
What is the SMILES notation for N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine?
The canonical SMILES for N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine is CC/N=C/C1(F)C=CC=N1.
What is the InChIKey of N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine?
The InChIKey is OGLFSRDFWUVJSR-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H9FN2/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?
N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine has a molecular weight of 140.16 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 is sourced from PubChem (CID 89251952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).