3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline

C12H11FN2S — CID 86752186

IUPAC3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline
SMILESCC(=NNc1cccc(F)c1)c1cccs1
InChIInChI=1S/C12H11FN2S/c1-9(12-6-3-7-16-12)14-15-11-5-2-4-10(13)8-11/h2-8,15H,1H3
InChIKeyRJTVACJRIXTOKA-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.72
Rot. Bonds3

About 3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline

3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline (PubChem CID 86752186) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline.

Molecular Properties

Compound Name3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline
PubChem CID86752186
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline
SMILESCC(=NNc1cccc(F)c1)c1cccs1
InChIInChI=1S/C12H11FN2S/c1-9(12-6-3-7-16-12)14-15-11-5-2-4-10(13)8-11/h2-8,15H,1H3
InChIKeyRJTVACJRIXTOKA-UHFFFAOYSA-N
XLogP3.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 3463162
ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate
CID 58003647
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
2-ethyl-N-[(E)-1-thiophen-2-ylethylideneamino]aniline
CID 7340543
N-(3-fluorophenyl)-2-(thiophene-2-carbonyl)benzamide
CID 36678143
N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999140
N-[3-[N-[(4-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4300167
4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine
CID 6264891
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine
CID 31522342
oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 24846810

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline?
The IUPAC name of 3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline (CID 86752186) is 3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline.
What is the SMILES notation for 3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline?
The canonical SMILES for 3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline is CC(=NNc1cccc(F)c1)c1cccs1.
What is the InChIKey of 3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline?
The InChIKey is RJTVACJRIXTOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c1-9(12-6-3-7-16-12)14-15-11-5-2-4-10(13)8-11/h2-8,15H,1H3.
What are the key properties of 3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline?
3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline has a molecular weight of 234.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline is sourced from PubChem (CID 86752186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).