2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine

C14H10ClFN2 — CID 63291735

IUPAC2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClFN2/c15-10-2-5-12(6-3-10)18-8-9-1-4-11(16)7-13(9)14(18)17/h1-7,17H,8H2/b17-14+
InChIKeyIUGOMVGYMMAOPE-SAPNQHFASA-N
MW260.70 g/mol
LogP3.82
Rot. Bonds1

About 2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine

2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine (PubChem CID 63291735) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
PubChem CID63291735
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClFN2/c15-10-2-5-12(6-3-10)18-8-9-1-4-11(16)7-13(9)14(18)17/h1-7,17H,8H2/b17-14+
InChIKeyIUGOMVGYMMAOPE-SAPNQHFASA-N
XLogP3.82
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.82
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-(3,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63536476
2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 107613346
2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63291429
2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63536797
2-[4-(difluoromethoxy)phenyl]-6-fluoro-3H-isoindol-1-imine
CID 63291212
2-(4-chloro-3-methoxyphenyl)-6-fluoro-3H-isoindol-1-imine
CID 107622111
6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine
CID 63291650
6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine
CID 63291737
3-(5-fluoro-3-imino-1H-isoindol-2-yl)benzonitrile
CID 55172909
2-(2,4-dibromophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63534945
2-(4-chloro-2-methoxy-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine
CID 63534774
2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine
CID 104779801

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine?
The IUPAC name of 2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine (CID 63291735) is 2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine?
The canonical SMILES for 2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine is [H]/N=C1\c2cc(F)ccc2CN1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine?
The InChIKey is IUGOMVGYMMAOPE-SAPNQHFASA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-10-2-5-12(6-3-10)18-8-9-1-4-11(16)7-13(9)14(18)17/h1-7,17H,8H2/b17-14+.
What are the key properties of 2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine?
2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine has a molecular weight of 260.70 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine is sourced from PubChem (CID 63291735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).