3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one

C13H9F2NOS — CID 91896811

IUPAC3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one
SMILESO=C(C/C=N/c1ccc(F)c(F)c1)c1cccs1
InChIInChI=1S/C13H9F2NOS/c14-10-4-3-9(8-11(10)15)16-6-5-12(17)13-2-1-7-18-13/h1-4,6-8H,5H2/b16-6+
InChIKeyRJZXUYGPSPYBIO-OMCISZLKSA-N
MW265.28 g/mol
LogP4.00
Rot. Bonds4

About 3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one

3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one (PubChem CID 91896811) has the molecular formula C13H9F2NOS and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one
PubChem CID91896811
Molecular FormulaC13H9F2NOS
Molecular Weight265.28 g/mol
Exact Mass265.04
IUPAC Name3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one
SMILESO=C(C/C=N/c1ccc(F)c(F)c1)c1cccs1
InChIInChI=1S/C13H9F2NOS/c14-10-4-3-9(8-11(10)15)16-6-5-12(17)13-2-1-7-18-13/h1-4,6-8H,5H2/b16-6+
InChIKeyRJZXUYGPSPYBIO-OMCISZLKSA-N
XLogP4.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-3-methylphenyl)imino-1-thiophen-2-ylpropan-1-one
CID 91896847
3-(3,4-dimethylphenyl)imino-1-thiophen-2-ylpropan-1-one
CID 91896845
3-(1,3-benzodioxol-5-ylimino)-1-thiophen-2-ylpropan-1-one
CID 91896852
3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one
CID 91401022
2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone
CID 43612539
N-[3-[[2-(3,4-difluorophenyl)acetyl]amino]propyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 167750645
2-(butylideneamino)-1-thiophen-2-ylethanone
CID 58171418
2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
CID 71755530
1-(2,4-dichlorophenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126060994
1-thiophen-2-ylpropan-1-one
CID 26179
dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium
CID 5200476
sodium thiophene-2-carboxylate
CID 23672340

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one (CID 91896811) is 3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one is O=C(C/C=N/c1ccc(F)c(F)c1)c1cccs1.
What is the InChIKey of 3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one?
The InChIKey is RJZXUYGPSPYBIO-OMCISZLKSA-N. The full InChI is InChI=1S/C13H9F2NOS/c14-10-4-3-9(8-11(10)15)16-6-5-12(17)13-2-1-7-18-13/h1-4,6-8H,5H2/b16-6+.
What are the key properties of 3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one?
3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one has a molecular weight of 265.28 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)imino-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 91896811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).