3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine

C9H9FN2 — CID 173382294

IUPAC3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C(\C=CN)c1ccc(F)cc1
InChIInChI=1S/C9H9FN2/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6,12H,11H2/b6-5?,12-9+
InChIKeyUFOFJGSQHJKDTK-UIVVCGMHSA-N
MW164.18 g/mol
LogP1.67
Rot. Bonds2

About 3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine

3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine (PubChem CID 173382294) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine
PubChem CID173382294
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C(\C=CN)c1ccc(F)cc1
InChIInChI=1S/C9H9FN2/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6,12H,11H2/b6-5?,12-9+
InChIKeyUFOFJGSQHJKDTK-UIVVCGMHSA-N
XLogP1.67
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 ≤ 51.67
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

(Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine
CID 145448734
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide
CID 130271294
carbamimidoyl 4-fluorobenzenecarboximidothioate
CID 130296275
(Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine
CID 118228085
1-(4-fluorophenyl)-2-iminoethanone
CID 57035485
2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide
CID 145217858
2-(4-fluorobenzenecarboximidoyl)aniline
CID 86616565
1,4-difluorobenzene;formamide
CID 143654917
1-(4-fluorophenyl)-2-imino-2-pyridin-4-ylethanone
CID 89234992
4-carbamimidoyl-N-[(4-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]benzamide
CID 139473417
4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240742

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine (CID 173382294) is 3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine is [H]/N=C(\C=CN)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine?
The InChIKey is UFOFJGSQHJKDTK-UIVVCGMHSA-N. The full InChI is InChI=1S/C9H9FN2/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6,12H,11H2/b6-5?,12-9+.
What are the key properties of 3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine?
3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine has a molecular weight of 164.18 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 173382294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).