(2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde

C8H7FN2O — CID 87314811

IUPAC(2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde
SMILESO=C/C=N/Nc1cccc(F)c1
InChIInChI=1S/C8H7FN2O/c9-7-2-1-3-8(6-7)11-10-4-5-12/h1-6,11H/b10-4+
InChIKeyRCAGHVMAERTJGR-ONNFQVAWSA-N
MW166.16 g/mol
LogP1.42
Rot. Bonds3

About (2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde

(2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde (PubChem CID 87314811) has the molecular formula C8H7FN2O and a molecular weight of 166.16 g/mol. Its IUPAC name is (2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde.

Molecular Properties

Compound Name(2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde
PubChem CID87314811
Molecular FormulaC8H7FN2O
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name(2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde
SMILESO=C/C=N/Nc1cccc(F)c1
InChIInChI=1S/C8H7FN2O/c9-7-2-1-3-8(6-7)11-10-4-5-12/h1-6,11H/b10-4+
InChIKeyRCAGHVMAERTJGR-ONNFQVAWSA-N
XLogP1.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide
CID 165154075
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
3-fluoro-N-methylaniline
CID 2759011
3-fluoro-N-[(E)-[4-[4-[(3-fluorophenyl)methyliminomethyl]phenyl]phenyl]methylideneamino]aniline
CID 172989455
3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline
CID 3622419
1,3-difluorobenzene;formic acid
CID 158586074
acetaldehyde;1,3-difluorobenzene
CID 160854263
2-(3-fluoroanilino)benzaldehyde
CID 89300510
3-fluoro-N-phenylaniline
CID 2774466
N'-(3-fluorophenyl)-N-phenylmethanediamine
CID 141068458
3-N-(2-iminoethylideneamino)benzene-1,3-diamine
CID 149024919
3-[(3-fluorophenyl)hydrazinylidene]cyclohexan-1-one
CID 57300123

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde?
The IUPAC name of (2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde (CID 87314811) is (2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde.
What is the SMILES notation for (2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde?
The canonical SMILES for (2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde is O=C/C=N/Nc1cccc(F)c1.
What is the InChIKey of (2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde?
The InChIKey is RCAGHVMAERTJGR-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H7FN2O/c9-7-2-1-3-8(6-7)11-10-4-5-12/h1-6,11H/b10-4+.
What are the key properties of (2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde?
(2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde has a molecular weight of 166.16 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde is sourced from PubChem (CID 87314811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).