2-fluoro-N-(propan-2-ylideneamino)aniline

C9H11FN2 — CID 14185588

IUPAC2-fluoro-N-(propan-2-ylideneamino)aniline
SMILESCC(C)=NNc1ccccc1F
InChIInChI=1S/C9H11FN2/c1-7(2)11-12-9-6-4-3-5-8(9)10/h3-6,12H,1-2H3
InChIKeyAKXQHBCGXKDKSZ-UHFFFAOYSA-N
MW166.20 g/mol
LogP2.63
Rot. Bonds2

About 2-fluoro-N-(propan-2-ylideneamino)aniline

2-fluoro-N-(propan-2-ylideneamino)aniline (PubChem CID 14185588) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-fluoro-N-(propan-2-ylideneamino)aniline.

Molecular Properties

Compound Name2-fluoro-N-(propan-2-ylideneamino)aniline
PubChem CID14185588
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name2-fluoro-N-(propan-2-ylideneamino)aniline
SMILESCC(C)=NNc1ccccc1F
InChIInChI=1S/C9H11FN2/c1-7(2)11-12-9-6-4-3-5-8(9)10/h3-6,12H,1-2H3
InChIKeyAKXQHBCGXKDKSZ-UHFFFAOYSA-N
XLogP2.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2,4-Difluoro-phenyl)-hydrazine
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(4-Fluorophenyl)hydrazine
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2-Fluorophenylhydrazine hydrochloride
CID 423844
2-Propanone, 2-phenylhydrazone
CID 66026
(4-Fluorophenyl)carbonohydrazonoyl dicyanide
CID 832904
Hydrazine, (2-fluorophenyl)-, hydrochloride (1:1)
CID 2723910
2-Butanone, 3-methyl-, 2-phenylhydrazone
CID 9576162
2-Butanone, 2-phenylhydrazone
CID 9576180

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(propan-2-ylideneamino)aniline?
The IUPAC name of 2-fluoro-N-(propan-2-ylideneamino)aniline (CID 14185588) is 2-fluoro-N-(propan-2-ylideneamino)aniline.
What is the SMILES notation for 2-fluoro-N-(propan-2-ylideneamino)aniline?
The canonical SMILES for 2-fluoro-N-(propan-2-ylideneamino)aniline is CC(C)=NNc1ccccc1F.
What is the InChIKey of 2-fluoro-N-(propan-2-ylideneamino)aniline?
The InChIKey is AKXQHBCGXKDKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-7(2)11-12-9-6-4-3-5-8(9)10/h3-6,12H,1-2H3.
What are the key properties of 2-fluoro-N-(propan-2-ylideneamino)aniline?
2-fluoro-N-(propan-2-ylideneamino)aniline has a molecular weight of 166.20 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(propan-2-ylideneamino)aniline is sourced from PubChem (CID 14185588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).