7-fluoro-3-iminoisoindol-1-amine

C8H6FN3 — CID 139654062

IUPAC7-fluoro-3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2c(F)cccc21
InChIInChI=1S/C8H6FN3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H,(H3,10,11,12)
InChIKeyXDXBVDXSWYGHPJ-UHFFFAOYSA-N
MW163.16 g/mol
LogP0.87
Rot. Bonds

About 7-fluoro-3-iminoisoindol-1-amine

7-fluoro-3-iminoisoindol-1-amine (PubChem CID 139654062) has the molecular formula C8H6FN3 and a molecular weight of 163.16 g/mol. Its IUPAC name is 7-fluoro-3-iminoisoindol-1-amine.

Molecular Properties

Compound Name7-fluoro-3-iminoisoindol-1-amine
PubChem CID139654062
Molecular FormulaC8H6FN3
Molecular Weight163.16 g/mol
Exact Mass163.05
IUPAC Name7-fluoro-3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2c(F)cccc21
InChIInChI=1S/C8H6FN3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H,(H3,10,11,12)
InChIKeyXDXBVDXSWYGHPJ-UHFFFAOYSA-N
XLogP0.87
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iminoisoindol-1-amine
CID 139180243
3-iminoisoindole-1,4-diamine
CID 173277790
ethane;3-iminobenzo[f]isoindol-1-amine;propane
CID 91220284
6-chloro-3-iminobenzo[f]isoindol-1-amine
CID 19991336
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
4,5-difluoro-9H-fluoren-9-amine
CID 82578575
(1-amino-3-iminoisoindol-5-yl)methanethiol
CID 155714870
3-imino-5-(4-methylphenyl)sulfanylisoindol-1-amine
CID 10706952
2-(2-fluorophenyl)-1,3-dimethylbenzene
CID 22075461
2-(3-fluoro-2-methylphenyl)-4-methylaniline
CID 115502782
3-imino-5-(2,2,2-trifluoroethoxy)isoindol-1-amine
CID 18006514

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-iminoisoindol-1-amine?
The IUPAC name of 7-fluoro-3-iminoisoindol-1-amine (CID 139654062) is 7-fluoro-3-iminoisoindol-1-amine.
What is the SMILES notation for 7-fluoro-3-iminoisoindol-1-amine?
The canonical SMILES for 7-fluoro-3-iminoisoindol-1-amine is [H]/N=C1\N=C(N)c2c(F)cccc21.
What is the InChIKey of 7-fluoro-3-iminoisoindol-1-amine?
The InChIKey is XDXBVDXSWYGHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H,(H3,10,11,12).
What are the key properties of 7-fluoro-3-iminoisoindol-1-amine?
7-fluoro-3-iminoisoindol-1-amine has a molecular weight of 163.16 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-iminoisoindol-1-amine is sourced from PubChem (CID 139654062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).