2-ethanimidoyl-6-fluoroaniline

C8H9FN2 — CID 143652831

IUPAC2-ethanimidoyl-6-fluoroaniline
SMILES[H]/N=C(\C)c1cccc(F)c1N
InChIInChI=1S/C8H9FN2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,10H,11H2,1H3/b10-5+
InChIKeyLLSBRZGXVYHDOQ-BJMVGYQFSA-N
MW152.17 g/mol
LogP1.80
Rot. Bonds1

About 2-ethanimidoyl-6-fluoroaniline

2-ethanimidoyl-6-fluoroaniline (PubChem CID 143652831) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-ethanimidoyl-6-fluoroaniline.

Molecular Properties

Compound Name2-ethanimidoyl-6-fluoroaniline
PubChem CID143652831
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name2-ethanimidoyl-6-fluoroaniline
SMILES[H]/N=C(\C)c1cccc(F)c1N
InChIInChI=1S/C8H9FN2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,10H,11H2,1H3/b10-5+
InChIKeyLLSBRZGXVYHDOQ-BJMVGYQFSA-N
XLogP1.80
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-prop-2-enimidoylaniline
CID 176657806
2-(2-amino-3-ethanimidoylphenyl)propan-2-ol
CID 126605955
2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone
CID 123720309
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
CID 83021184
2-amino-3-fluoro-N-methylsulfonylbenzamide
CID 103287711
butane;1-(2,3-dimethylphenyl)ethanimine
CID 177029537
1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine
CID 126701033
1-(2-methoxyphenyl)ethanimine
CID 154457857
1-(2-amino-3-fluorophenyl)hexan-1-one
CID 116597714
3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine
CID 145192695
(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 105489005

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-6-fluoroaniline?
The IUPAC name of 2-ethanimidoyl-6-fluoroaniline (CID 143652831) is 2-ethanimidoyl-6-fluoroaniline.
What is the SMILES notation for 2-ethanimidoyl-6-fluoroaniline?
The canonical SMILES for 2-ethanimidoyl-6-fluoroaniline is [H]/N=C(\C)c1cccc(F)c1N.
What is the InChIKey of 2-ethanimidoyl-6-fluoroaniline?
The InChIKey is LLSBRZGXVYHDOQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H9FN2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,10H,11H2,1H3/b10-5+.
What are the key properties of 2-ethanimidoyl-6-fluoroaniline?
2-ethanimidoyl-6-fluoroaniline has a molecular weight of 152.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-6-fluoroaniline is sourced from PubChem (CID 143652831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).