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

C6H7FN2 — CID 89252040

IUPAC1-(2-fluoropyrrol-2-yl)-N-methylmethanimine
SMILESC/N=C/C1(F)C=CC=N1
InChIInChI=1S/C6H7FN2/c1-8-5-6(7)3-2-4-9-6/h2-5H,1H3/b8-5+
InChIKeyPNESRJSWNBFMKB-VMPITWQZSA-N
MW126.13 g/mol
LogP0.99
Rot. Bonds1

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

1-(2-fluoropyrrol-2-yl)-N-methylmethanimine (PubChem CID 89252040) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(2-fluoropyrrol-2-yl)-N-methylmethanimine
PubChem CID89252040
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name1-(2-fluoropyrrol-2-yl)-N-methylmethanimine
SMILESC/N=C/C1(F)C=CC=N1
InChIInChI=1S/C6H7FN2/c1-8-5-6(7)3-2-4-9-6/h2-5H,1H3/b8-5+
InChIKeyPNESRJSWNBFMKB-VMPITWQZSA-N
XLogP0.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
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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Related Compounds

2-methyl-2H-pyrrole
CID 18970006
2-(trifluoromethyl)-2H-pyrrole
CID 67621404
(2S)-2-fluoro-2,5-dihydropyridine
CID 91143792
3-fluoro-N-methyl-2H-pyridin-5-imine
CID 123433010
4-fluoro-2-methyl-2H-pyrrole
CID 148435383
5-Fluoro-2,5-dihydropyridine
CID 173305258
Pyrrole-spiro-pyrrole
CID 129739832
1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine
CID 89251919
N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine
CID 89251952
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine?
The IUPAC name of 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine (CID 89252040) is 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine?
The canonical SMILES for 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine is C/N=C/C1(F)C=CC=N1.
What is the InChIKey of 1-(2-fluoropyrrol-2-yl)-N-methylmethanimine?
The InChIKey is PNESRJSWNBFMKB-VMPITWQZSA-N. The full InChI is InChI=1S/C6H7FN2/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?
1-(2-fluoropyrrol-2-yl)-N-methylmethanimine has a molecular weight of 126.13 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 is sourced from PubChem (CID 89252040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).