5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde

C12H9FO4S — CID 169332145

IUPAC5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde
SMILESCS(=O)(=O)c1ccc(-c2ccc(C=O)o2)c(F)c1
InChIInChI=1S/C12H9FO4S/c1-18(15,16)9-3-4-10(11(13)6-9)12-5-2-8(7-14)17-12/h2-7H,1H3
InChIKeyQIFWOBLJURJKDR-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.30
Rot. Bonds3

About 5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde

5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde (PubChem CID 169332145) has the molecular formula C12H9FO4S and a molecular weight of 268.26 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde
PubChem CID169332145
Molecular FormulaC12H9FO4S
Molecular Weight268.26 g/mol
Exact Mass268.02
IUPAC Name5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde
SMILESCS(=O)(=O)c1ccc(-c2ccc(C=O)o2)c(F)c1
InChIInChI=1S/C12H9FO4S/c1-18(15,16)9-3-4-10(11(13)6-9)12-5-2-8(7-14)17-12/h2-7H,1H3
InChIKeyQIFWOBLJURJKDR-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-formylfuran-2-yl)-3-methylbenzenesulfonate
CID 50874017
5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde
CID 169335280
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde
CID 169334255
5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169334405
5-(3-fluoro-4-pyridinyl)furan-2-carbaldehyde
CID 103840994
5-(2,4-difluorophenyl)-6-(4-methylsulfonylphenyl)-4-oxopyran-2-carbaldehyde
CID 18669516
5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
CID 169332004
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde
CID 169334507
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde (CID 169332145) is 5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde is CS(=O)(=O)c1ccc(-c2ccc(C=O)o2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde?
The InChIKey is QIFWOBLJURJKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO4S/c1-18(15,16)9-3-4-10(11(13)6-9)12-5-2-8(7-14)17-12/h2-7H,1H3.
What are the key properties of 5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde?
5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde has a molecular weight of 268.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169332145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).