2-fluoro-6-prop-2-enimidoylaniline

C9H9FN2 — CID 176657806

IUPAC2-fluoro-6-prop-2-enimidoylaniline
SMILES[H]/N=C(\C=C)c1cccc(F)c1N
InChIInChI=1S/C9H9FN2/c1-2-8(11)6-4-3-5-7(10)9(6)12/h2-5,11H,1,12H2/b11-8+
InChIKeyCONCWOFTQOCVLH-DHZHZOJOSA-N
MW164.18 g/mol
LogP1.96
Rot. Bonds2

About 2-fluoro-6-prop-2-enimidoylaniline

2-fluoro-6-prop-2-enimidoylaniline (PubChem CID 176657806) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-fluoro-6-prop-2-enimidoylaniline.

Molecular Properties

Compound Name2-fluoro-6-prop-2-enimidoylaniline
PubChem CID176657806
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name2-fluoro-6-prop-2-enimidoylaniline
SMILES[H]/N=C(\C=C)c1cccc(F)c1N
InChIInChI=1S/C9H9FN2/c1-2-8(11)6-4-3-5-7(10)9(6)12/h2-5,11H,1,12H2/b11-8+
InChIKeyCONCWOFTQOCVLH-DHZHZOJOSA-N
XLogP1.96
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.96
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-ethanimidoyl-6-fluoroaniline
CID 143652831
2-prop-2-enimidoylbenzene-1,4-diamine
CID 176988538
2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone
CID 123720309
4-ethenyl-2-fluoro-6-[(E)-3-phenylprop-2-enimidoyl]aniline
CID 142836110
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide
CID 145217858
(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 105489005
1-(2-amino-3-fluorophenyl)but-3-yn-1-one
CID 116597523
(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 116597564
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518
2-bromo-6-fluoroaniline;dihydrofluoride
CID 174694012
(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 62650888

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-prop-2-enimidoylaniline?
The IUPAC name of 2-fluoro-6-prop-2-enimidoylaniline (CID 176657806) is 2-fluoro-6-prop-2-enimidoylaniline.
What is the SMILES notation for 2-fluoro-6-prop-2-enimidoylaniline?
The canonical SMILES for 2-fluoro-6-prop-2-enimidoylaniline is [H]/N=C(\C=C)c1cccc(F)c1N.
What is the InChIKey of 2-fluoro-6-prop-2-enimidoylaniline?
The InChIKey is CONCWOFTQOCVLH-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H9FN2/c1-2-8(11)6-4-3-5-7(10)9(6)12/h2-5,11H,1,12H2/b11-8+.
What are the key properties of 2-fluoro-6-prop-2-enimidoylaniline?
2-fluoro-6-prop-2-enimidoylaniline has a molecular weight of 164.18 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-prop-2-enimidoylaniline is sourced from PubChem (CID 176657806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).