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

C8H11FN2Xe — CID 89251918

IUPAC1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon
SMILESCC(C)/N=C/C1(F)C=CC=N1.[Xe]
InChIInChI=1S/C8H11FN2.Xe/c1-7(2)10-6-8(9)4-3-5-11-8;/h3-7H,1-2H3;/b10-6+;
InChIKeyOFEQVXAAHNRINO-AAGWESIMSA-N
MW285.48 g/mol
LogP1.77
Rot. Bonds2

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

1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon (PubChem CID 89251918) has the molecular formula C8H11FN2Xe and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon.

Molecular Properties

Compound Name1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon
PubChem CID89251918
Molecular FormulaC8H11FN2Xe
Molecular Weight285.48 g/mol
Exact Mass285.99
IUPAC Name1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon
SMILESCC(C)/N=C/C1(F)C=CC=N1.[Xe]
InChIInChI=1S/C8H11FN2.Xe/c1-7(2)10-6-8(9)4-3-5-11-8;/h3-7H,1-2H3;/b10-6+;
InChIKeyOFEQVXAAHNRINO-AAGWESIMSA-N
XLogP1.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon?
The IUPAC name of 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon (CID 89251918) is 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon.
What is the SMILES notation for 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon?
The canonical SMILES for 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon is CC(C)/N=C/C1(F)C=CC=N1.[Xe].
What is the InChIKey of 1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon?
The InChIKey is OFEQVXAAHNRINO-AAGWESIMSA-N. The full InChI is InChI=1S/C8H11FN2.Xe/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;xenon?
1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine;xenon has a molecular weight of 285.48 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;xenon is sourced from PubChem (CID 89251918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).