5-fluoro-2-(methylideneamino)aniline

C7H7FN2 — CID 123575446

IUPAC5-fluoro-2-(methylideneamino)aniline
SMILESC=Nc1ccc(F)cc1N
InChIInChI=1S/C7H7FN2/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1,9H2
InChIKeyKHBOTGGSIPHCFD-UHFFFAOYSA-N
MW138.14 g/mol
LogP1.74
Rot. Bonds1

About 5-fluoro-2-(methylideneamino)aniline

5-fluoro-2-(methylideneamino)aniline (PubChem CID 123575446) has the molecular formula C7H7FN2 and a molecular weight of 138.14 g/mol. Its IUPAC name is 5-fluoro-2-(methylideneamino)aniline.

Molecular Properties

Compound Name5-fluoro-2-(methylideneamino)aniline
PubChem CID123575446
Molecular FormulaC7H7FN2
Molecular Weight138.14 g/mol
Exact Mass138.06
IUPAC Name5-fluoro-2-(methylideneamino)aniline
SMILESC=Nc1ccc(F)cc1N
InChIInChI=1S/C7H7FN2/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1,9H2
InChIKeyKHBOTGGSIPHCFD-UHFFFAOYSA-N
XLogP1.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 51.74
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylideneamino)aniline?
The IUPAC name of 5-fluoro-2-(methylideneamino)aniline (CID 123575446) is 5-fluoro-2-(methylideneamino)aniline.
What is the SMILES notation for 5-fluoro-2-(methylideneamino)aniline?
The canonical SMILES for 5-fluoro-2-(methylideneamino)aniline is C=Nc1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-(methylideneamino)aniline?
The InChIKey is KHBOTGGSIPHCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1,9H2.
What are the key properties of 5-fluoro-2-(methylideneamino)aniline?
5-fluoro-2-(methylideneamino)aniline has a molecular weight of 138.14 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methylideneamino)aniline is sourced from PubChem (CID 123575446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).