6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine

C15H15FN2S — CID 63291833

IUPAC6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1C(CC)c1cccs1
InChIInChI=1S/C15H15FN2S/c1-2-13(14-4-3-7-19-14)18-9-10-5-6-11(16)8-12(10)15(18)17/h3-8,13,17H,2,9H2,1H3/b17-15+
InChIKeyRTSYBOIADDFMIV-BMRADRMJSA-N
MW274.36 g/mol
LogP4.18
Rot. Bonds3

About 6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine

6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine (PubChem CID 63291833) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine
PubChem CID63291833
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1C(CC)c1cccs1
InChIInChI=1S/C15H15FN2S/c1-2-13(14-4-3-7-19-14)18-9-10-5-6-11(16)8-12(10)15(18)17/h3-8,13,17H,2,9H2,1H3/b17-15+
InChIKeyRTSYBOIADDFMIV-BMRADRMJSA-N
XLogP4.18
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine?
The IUPAC name of 6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine (CID 63291833) is 6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine.
What is the SMILES notation for 6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine?
The canonical SMILES for 6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine is [H]/N=C1\c2cc(F)ccc2CN1C(CC)c1cccs1.
What is the InChIKey of 6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine?
The InChIKey is RTSYBOIADDFMIV-BMRADRMJSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-2-13(14-4-3-7-19-14)18-9-10-5-6-11(16)8-12(10)15(18)17/h3-8,13,17H,2,9H2,1H3/b17-15+.
What are the key properties of 6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine?
6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine has a molecular weight of 274.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1-thiophen-2-ylpropyl)-3H-isoindol-1-imine is sourced from PubChem (CID 63291833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).