5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde

C8H8FNOS — CID 167494764

IUPAC5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CC(F)C2)s1
InChIInChI=1S/C8H8FNOS/c9-6-3-10(4-6)8-2-1-7(5-11)12-8/h1-2,5-6H,3-4H2
InChIKeyFBBUAIPIRHSIAM-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.72
Rot. Bonds2

About 5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde

5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde (PubChem CID 167494764) has the molecular formula C8H8FNOS and a molecular weight of 185.22 g/mol. Its IUPAC name is 5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde
PubChem CID167494764
Molecular FormulaC8H8FNOS
Molecular Weight185.22 g/mol
Exact Mass185.03
IUPAC Name5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CC(F)C2)s1
InChIInChI=1S/C8H8FNOS/c9-6-3-10(4-6)8-2-1-7(5-11)12-8/h1-2,5-6H,3-4H2
InChIKeyFBBUAIPIRHSIAM-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Morpholin-4-yl)thiophene-2-carboxaldehyde
CID 2326306
5-(Dimethylamino)thiophene-2-carbaldehyde
CID 3157939
5-(Piperidin-1-yl)thiophene-2-carbaldehyde
CID 2113341
5-(Piperazin-1-yl)thiophene-2-carbaldehyde
CID 2463177
5-(4-Hydroxypiperidin-1-yl)thiophene-2-carboxaldehyde
CID 2763540
2-Acetyl-5-(dimethylamino)thiophene
CID 21627268
5-[(2-Hydroxyethyl)(methyl)amino]thiophene-2-carbaldehyde
CID 11063106
5-(Diethylamino)thiophene-2-carbaldehyde
CID 15396909
5-(Dibutylamino)thiophene-2-carbaldehyde
CID 15396910
5-[5-(Diethylamino)thiophen-2-yl]thiophene-2-carbaldehyde
CID 57574455
5-[4-(2-Fluorophenyl)piperazin-1-yl]thiophene-2-carbaldehyde
CID 64336541
5-[Cyclopropylmethyl(propyl)amino]-3-(trifluoromethyl)thiophene-2-carbaldehyde
CID 87065762

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde (CID 167494764) is 5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde is O=Cc1ccc(N2CC(F)C2)s1.
What is the InChIKey of 5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde?
The InChIKey is FBBUAIPIRHSIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNOS/c9-6-3-10(4-6)8-2-1-7(5-11)12-8/h1-2,5-6H,3-4H2.
What are the key properties of 5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde?
5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde has a molecular weight of 185.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroazetidin-1-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 167494764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).