5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde

C11H6ClFOS — CID 130698823

IUPAC5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde
SMILESO=Cc1cc(-c2ccsc2Cl)ccc1F
InChIInChI=1S/C11H6ClFOS/c12-11-9(3-4-15-11)7-1-2-10(13)8(5-7)6-14/h1-6H
InChIKeyIRJHWHBTVRYNES-UHFFFAOYSA-N
MW240.69 g/mol
LogP4.02
Rot. Bonds2

About 5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde

5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde (PubChem CID 130698823) has the molecular formula C11H6ClFOS and a molecular weight of 240.69 g/mol. Its IUPAC name is 5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde
PubChem CID130698823
Molecular FormulaC11H6ClFOS
Molecular Weight240.69 g/mol
Exact Mass239.98
IUPAC Name5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde
SMILESO=Cc1cc(-c2ccsc2Cl)ccc1F
InChIInChI=1S/C11H6ClFOS/c12-11-9(3-4-15-11)7-1-2-10(13)8(5-7)6-14/h1-6H
InChIKeyIRJHWHBTVRYNES-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-(2,4,5-trifluorophenyl)benzaldehyde
CID 115503115
5-(2,4-difluorophenyl)-2-fluorobenzaldehyde
CID 61033868
5-(2,3-difluorophenyl)-2-fluorobenzaldehyde
CID 63988586
2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde
CID 102834299
5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde
CID 115504092
2-chloro-3-(2,5-difluorophenyl)thiophene
CID 66799983
2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde
CID 102834329
5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde
CID 22566637
2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
CID 54910502
2-fluoro-5-(3-methyl-4-pyridinyl)benzaldehyde
CID 66280367
5-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzaldehyde
CID 66008484
5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde
CID 115502480

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde?
The IUPAC name of 5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde (CID 130698823) is 5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde.
What is the SMILES notation for 5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde?
The canonical SMILES for 5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde is O=Cc1cc(-c2ccsc2Cl)ccc1F.
What is the InChIKey of 5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde?
The InChIKey is IRJHWHBTVRYNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFOS/c12-11-9(3-4-15-11)7-1-2-10(13)8(5-7)6-14/h1-6H.
What are the key properties of 5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde?
5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde has a molecular weight of 240.69 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde is sourced from PubChem (CID 130698823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).