3-fluoro-4-[1-(methylamino)ethenyl]aniline

C9H11FN2 — CID 59420225

IUPAC3-fluoro-4-[1-(methylamino)ethenyl]aniline
SMILESC=C(NC)c1ccc(N)cc1F
InChIInChI=1S/C9H11FN2/c1-6(12-2)8-4-3-7(11)5-9(8)10/h3-5,12H,1,11H2,2H3
InChIKeyNFQCRPQMSRQKDY-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.60
Rot. Bonds2

About 3-fluoro-4-[1-(methylamino)ethenyl]aniline

3-fluoro-4-[1-(methylamino)ethenyl]aniline (PubChem CID 59420225) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-fluoro-4-[1-(methylamino)ethenyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-[1-(methylamino)ethenyl]aniline
PubChem CID59420225
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name3-fluoro-4-[1-(methylamino)ethenyl]aniline
SMILESC=C(NC)c1ccc(N)cc1F
InChIInChI=1S/C9H11FN2/c1-6(12-2)8-4-3-7(11)5-9(8)10/h3-5,12H,1,11H2,2H3
InChIKeyNFQCRPQMSRQKDY-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-(methylamino)ethenyl]aniline?
The IUPAC name of 3-fluoro-4-[1-(methylamino)ethenyl]aniline (CID 59420225) is 3-fluoro-4-[1-(methylamino)ethenyl]aniline.
What is the SMILES notation for 3-fluoro-4-[1-(methylamino)ethenyl]aniline?
The canonical SMILES for 3-fluoro-4-[1-(methylamino)ethenyl]aniline is C=C(NC)c1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-[1-(methylamino)ethenyl]aniline?
The InChIKey is NFQCRPQMSRQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-6(12-2)8-4-3-7(11)5-9(8)10/h3-5,12H,1,11H2,2H3.
What are the key properties of 3-fluoro-4-[1-(methylamino)ethenyl]aniline?
3-fluoro-4-[1-(methylamino)ethenyl]aniline has a molecular weight of 166.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-(methylamino)ethenyl]aniline is sourced from PubChem (CID 59420225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).