5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde

C13H11FO2 — CID 169335280

IUPAC5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)o2)c(C)c1F
InChIInChI=1S/C13H11FO2/c1-8-3-5-11(9(2)13(8)14)12-6-4-10(7-15)16-12/h3-7H,1-2H3
InChIKeyAKQIZPOAIBBALM-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.52
Rot. Bonds2

About 5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde

5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde (PubChem CID 169335280) has the molecular formula C13H11FO2 and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde
PubChem CID169335280
Molecular FormulaC13H11FO2
Molecular Weight218.23 g/mol
Exact Mass218.07
IUPAC Name5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)o2)c(C)c1F
InChIInChI=1S/C13H11FO2/c1-8-3-5-11(9(2)13(8)14)12-6-4-10(7-15)16-12/h3-7H,1-2H3
InChIKeyAKQIZPOAIBBALM-UHFFFAOYSA-N
XLogP3.52
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.52
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

5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
5-(4-methyl-3-pyridinyl)furan-2-carbaldehyde
CID 103840991
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde
CID 169332145
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde
CID 169333694
4-fluoro-2-(5-formylfuran-2-yl)-6-methylbenzonitrile
CID 169334247
4-(5-formylfuran-2-yl)-3-methylbenzenesulfonate
CID 50874017
5-(3-fluoro-4-pyridinyl)furan-2-carbaldehyde
CID 103840994
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde (CID 169335280) is 5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde is Cc1ccc(-c2ccc(C=O)o2)c(C)c1F.
What is the InChIKey of 5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde?
The InChIKey is AKQIZPOAIBBALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2/c1-8-3-5-11(9(2)13(8)14)12-6-4-10(7-15)16-12/h3-7H,1-2H3.
What are the key properties of 5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde?
5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde has a molecular weight of 218.23 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169335280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).