3-[4-(2-fluorophenyl)phenyl]propanal

C15H13FO — CID 57240259

IUPAC3-[4-(2-fluorophenyl)phenyl]propanal
SMILESO=CCCc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C15H13FO/c16-15-6-2-1-5-14(15)13-9-7-12(8-10-13)4-3-11-17/h1-2,5-11H,3-4H2
InChIKeyBRFFTMLSLIIABL-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.62
Rot. Bonds4

About 3-[4-(2-fluorophenyl)phenyl]propanal

3-[4-(2-fluorophenyl)phenyl]propanal (PubChem CID 57240259) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)phenyl]propanal.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)phenyl]propanal
PubChem CID57240259
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name3-[4-(2-fluorophenyl)phenyl]propanal
SMILESO=CCCc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C15H13FO/c16-15-6-2-1-5-14(15)13-9-7-12(8-10-13)4-3-11-17/h1-2,5-11H,3-4H2
InChIKeyBRFFTMLSLIIABL-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(2-fluorophenyl)benzene
CID 58121760
4-[2-fluoro-4-(3-oxopropyl)phenyl]benzaldehyde
CID 145122990
2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol
CID 145126379
3-(4-but-3-enylphenyl)-1,2-difluoro-4-(2-fluorophenyl)benzene
CID 56625676
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 145190547
3-[4-(4-methylphenyl)phenyl]propanal
CID 145376842
1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one
CID 82541250
4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide
CID 162181441
5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one
CID 158114835
4-[4-(2-fluorophenyl)phenyl]-N-(furan-2-yl)butanamide
CID 139380465
4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide
CID 138674464
3-(4-chlorophenyl)propanal;dihydrochloride
CID 141114380

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)phenyl]propanal?
The IUPAC name of 3-[4-(2-fluorophenyl)phenyl]propanal (CID 57240259) is 3-[4-(2-fluorophenyl)phenyl]propanal.
What is the SMILES notation for 3-[4-(2-fluorophenyl)phenyl]propanal?
The canonical SMILES for 3-[4-(2-fluorophenyl)phenyl]propanal is O=CCCc1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 3-[4-(2-fluorophenyl)phenyl]propanal?
The InChIKey is BRFFTMLSLIIABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c16-15-6-2-1-5-14(15)13-9-7-12(8-10-13)4-3-11-17/h1-2,5-11H,3-4H2.
What are the key properties of 3-[4-(2-fluorophenyl)phenyl]propanal?
3-[4-(2-fluorophenyl)phenyl]propanal has a molecular weight of 228.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)phenyl]propanal is sourced from PubChem (CID 57240259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).