2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine

C14H9F3N2 — CID 63291429

IUPAC2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1cc(F)ccc1F
InChIInChI=1S/C14H9F3N2/c15-9-2-1-8-7-19(14(18)11(8)5-9)13-6-10(16)3-4-12(13)17/h1-6,18H,7H2/b18-14+
InChIKeyPYNYMHTXOWYVBM-NBVRZTHBSA-N
MW262.23 g/mol
LogP3.45
Rot. Bonds1

About 2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine

2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine (PubChem CID 63291429) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine
PubChem CID63291429
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1cc(F)ccc1F
InChIInChI=1S/C14H9F3N2/c15-9-2-1-8-7-19(14(18)11(8)5-9)13-6-10(16)3-4-12(13)17/h1-6,18H,7H2/b18-14+
InChIKeyPYNYMHTXOWYVBM-NBVRZTHBSA-N
XLogP3.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63536797
2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63291735
2-(2,4-dibromophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63534945
2-(2-bromo-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine
CID 82757512
6-fluoro-2-(4-methoxy-2-methylphenyl)-3H-isoindol-1-imine
CID 63291223
2-(3,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63536476
2-(2-bromo-5-fluorophenyl)-3H-isoindol-1-imine
CID 107636514
6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine
CID 63291206
6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine
CID 63291650
2-(3-ethyl-1-methylpyrazol-4-yl)-6-fluoro-3H-isoindol-1-imine
CID 107463466
2-(4-chloro-2-methoxy-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine
CID 63534774
2-[4-(difluoromethoxy)phenyl]-6-fluoro-3H-isoindol-1-imine
CID 63291212

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine?
The IUPAC name of 2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine (CID 63291429) is 2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine?
The canonical SMILES for 2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine is [H]/N=C1\c2cc(F)ccc2CN1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine?
The InChIKey is PYNYMHTXOWYVBM-NBVRZTHBSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-9-2-1-8-7-19(14(18)11(8)5-9)13-6-10(16)3-4-12(13)17/h1-6,18H,7H2/b18-14+.
What are the key properties of 2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine?
2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine has a molecular weight of 262.23 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine is sourced from PubChem (CID 63291429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).