2-fluoro-3-(4-methylphenyl)benzaldehyde

C14H11FO — CID 171367900

IUPAC2-fluoro-3-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2cccc(C=O)c2F)cc1
InChIInChI=1S/C14H11FO/c1-10-5-7-11(8-6-10)13-4-2-3-12(9-16)14(13)15/h2-9H,1H3
InChIKeyPJSCIGGDTKMMJM-UHFFFAOYSA-N
MW214.24 g/mol
LogP3.61
Rot. Bonds2

About 2-fluoro-3-(4-methylphenyl)benzaldehyde

2-fluoro-3-(4-methylphenyl)benzaldehyde (PubChem CID 171367900) has the molecular formula C14H11FO and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-fluoro-3-(4-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-3-(4-methylphenyl)benzaldehyde
PubChem CID171367900
Molecular FormulaC14H11FO
Molecular Weight214.24 g/mol
Exact Mass214.08
IUPAC Name2-fluoro-3-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2cccc(C=O)c2F)cc1
InChIInChI=1S/C14H11FO/c1-10-5-7-11(8-6-10)13-4-2-3-12(9-16)14(13)15/h2-9H,1H3
InChIKeyPJSCIGGDTKMMJM-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-3-(4-methylphenyl)benzaldehyde?
The IUPAC name of 2-fluoro-3-(4-methylphenyl)benzaldehyde (CID 171367900) is 2-fluoro-3-(4-methylphenyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-3-(4-methylphenyl)benzaldehyde?
The canonical SMILES for 2-fluoro-3-(4-methylphenyl)benzaldehyde is Cc1ccc(-c2cccc(C=O)c2F)cc1.
What is the InChIKey of 2-fluoro-3-(4-methylphenyl)benzaldehyde?
The InChIKey is PJSCIGGDTKMMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO/c1-10-5-7-11(8-6-10)13-4-2-3-12(9-16)14(13)15/h2-9H,1H3.
What are the key properties of 2-fluoro-3-(4-methylphenyl)benzaldehyde?
2-fluoro-3-(4-methylphenyl)benzaldehyde has a molecular weight of 214.24 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-methylphenyl)benzaldehyde is sourced from PubChem (CID 171367900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).