4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde

C12H9FOS — CID 172650140

IUPAC4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde
SMILESCc1csc(-c2cc(C=O)ccc2F)c1
InChIInChI=1S/C12H9FOS/c1-8-4-12(15-7-8)10-5-9(6-14)2-3-11(10)13/h2-7H,1H3
InChIKeyIOAYSOSVMNRRCJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.68
Rot. Bonds2

About 4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde

4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde (PubChem CID 172650140) has the molecular formula C12H9FOS and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde
PubChem CID172650140
Molecular FormulaC12H9FOS
Molecular Weight220.27 g/mol
Exact Mass220.04
IUPAC Name4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde
SMILESCc1csc(-c2cc(C=O)ccc2F)c1
InChIInChI=1S/C12H9FOS/c1-8-4-12(15-7-8)10-5-9(6-14)2-3-11(10)13/h2-7H,1H3
InChIKeyIOAYSOSVMNRRCJ-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.68
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

4-fluoro-3-(5-methylthiophen-3-yl)benzaldehyde
CID 65100507
4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde
CID 87632317
3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde
CID 61033101
3-methyl-5-(4-methylthiophen-2-yl)benzaldehyde
CID 172650104
3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde
CID 79601958
3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde
CID 39232113
3-(3,4-difluorophenyl)-4-fluorobenzaldehyde
CID 61033610
4-fluoro-3-(3,4,5-trifluorophenyl)benzaldehyde
CID 61240453
3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde
CID 115504370
4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde
CID 172650181
4-(2,5-difluorophenyl)-3-methylbenzaldehyde
CID 81446927
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde?
The IUPAC name of 4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde (CID 172650140) is 4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde.
What is the SMILES notation for 4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde?
The canonical SMILES for 4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde is Cc1csc(-c2cc(C=O)ccc2F)c1.
What is the InChIKey of 4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde?
The InChIKey is IOAYSOSVMNRRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FOS/c1-8-4-12(15-7-8)10-5-9(6-14)2-3-11(10)13/h2-7H,1H3.
What are the key properties of 4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde?
4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde has a molecular weight of 220.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-methylthiophen-2-yl)benzaldehyde is sourced from PubChem (CID 172650140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).