2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine

C17H15FN2O — CID 63291528

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1CC1Cc2ccccc2O1
InChIInChI=1S/C17H15FN2O/c18-13-6-5-12-9-20(17(19)15(12)8-13)10-14-7-11-3-1-2-4-16(11)21-14/h1-6,8,14,19H,7,9-10H2/b19-17-
InChIKeyLOYSPCTXJDMLLL-ZPHPHTNESA-N
MW282.32 g/mol
LogP2.97
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine

2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine (PubChem CID 63291528) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine
PubChem CID63291528
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1CC1Cc2ccccc2O1
InChIInChI=1S/C17H15FN2O/c18-13-6-5-12-9-20(17(19)15(12)8-13)10-14-7-11-3-1-2-4-16(11)21-14/h1-6,8,14,19H,7,9-10H2/b19-17-
InChIKeyLOYSPCTXJDMLLL-ZPHPHTNESA-N
XLogP2.97
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine
CID 62232656
2-butyl-6-fluoro-3H-isoindol-1-imine
CID 63291865
6-fluoro-2-(2-phenylcyclopropyl)-3H-isoindol-1-imine
CID 63291614
4-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylbutan-1-amine
CID 63291315
6-fluoro-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-imine
CID 63291393
2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63291429
2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran
CID 126553111
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81332587
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione
CID 66363787
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine
CID 66363550
5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one
CID 64655138

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine (CID 63291528) is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine is [H]/N=C1/c2cc(F)ccc2CN1CC1Cc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine?
The InChIKey is LOYSPCTXJDMLLL-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15FN2O/c18-13-6-5-12-9-20(17(19)15(12)8-13)10-14-7-11-3-1-2-4-16(11)21-14/h1-6,8,14,19H,7,9-10H2/b19-17-.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine?
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine has a molecular weight of 282.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine is sourced from PubChem (CID 63291528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).