1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine

C8H11FN2 — CID 89251919

IUPAC1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine
SMILESCC(C)/N=C/C1(F)C=CC=N1
InChIInChI=1S/C8H11FN2/c1-7(2)10-6-8(9)4-3-5-11-8/h3-7H,1-2H3/b10-6+
InChIKeyHETYHSIYIHQRNO-UXBLZVDNSA-N
MW154.19 g/mol
LogP1.77
Rot. Bonds2

About 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine

1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine (PubChem CID 89251919) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine.

Molecular Properties

Compound Name1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine
PubChem CID89251919
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine
SMILESCC(C)/N=C/C1(F)C=CC=N1
InChIInChI=1S/C8H11FN2/c1-7(2)10-6-8(9)4-3-5-11-8/h3-7H,1-2H3/b10-6+
InChIKeyHETYHSIYIHQRNO-UXBLZVDNSA-N
XLogP1.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.77
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
4-fluoro-2-methyl-2H-pyrrole
CID 148435383
N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine
CID 89251952
1-(2-fluoropyrrol-2-yl)-N-methylmethanimine
CID 89252040
2-ethyl-2H-pyrrole
CID 67478601
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
(E)-N-[(Z)-hex-3-en-2-yl]but-2-en-1-imine
CID 121328491
(Z)-N-propan-2-ylpent-2-ene-1,5-diimine
CID 123230561
(2S)-2-methyl-2H-pyrrole
CID 148366799
ethane;2-ethyl-2H-pyrrole
CID 170980805

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine?
The IUPAC name of 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine (CID 89251919) is 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine.
What is the SMILES notation for 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine?
The canonical SMILES for 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine is CC(C)/N=C/C1(F)C=CC=N1.
What is the InChIKey of 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine?
The InChIKey is HETYHSIYIHQRNO-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H11FN2/c1-7(2)10-6-8(9)4-3-5-11-8/h3-7H,1-2H3/b10-6+.
What are the key properties of 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine?
1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine has a molecular weight of 154.19 g/mol, XLogP of 1.77, 2 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-propan-2-ylmethanimine is sourced from PubChem (CID 89251919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).