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

C12H9FOS — CID 102834299

IUPAC2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde
SMILESCc1sccc1-c1ccc(C=O)c(F)c1
InChIInChI=1S/C12H9FOS/c1-8-11(4-5-15-8)9-2-3-10(7-14)12(13)6-9/h2-7H,1H3
InChIKeyUBAZFCCOOLFYFR-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.68
Rot. Bonds2

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

2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde (PubChem CID 102834299) has the molecular formula C12H9FOS and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde
PubChem CID102834299
Molecular FormulaC12H9FOS
Molecular Weight220.27 g/mol
Exact Mass220.04
IUPAC Name2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde
SMILESCc1sccc1-c1ccc(C=O)c(F)c1
InChIInChI=1S/C12H9FOS/c1-8-11(4-5-15-8)9-2-3-10(7-14)12(13)6-9/h2-7H,1H3
InChIKeyUBAZFCCOOLFYFR-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde (CID 102834299) is 2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde is Cc1sccc1-c1ccc(C=O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde?
The InChIKey is UBAZFCCOOLFYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FOS/c1-8-11(4-5-15-8)9-2-3-10(7-14)12(13)6-9/h2-7H,1H3.
What are the key properties of 2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde?
2-fluoro-4-(2-methylthiophen-3-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 2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde is sourced from PubChem (CID 102834299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).