4-(3,5-difluorophenyl)benzaldehyde

C13H8F2O — CID 11367947

IUPAC4-(3,5-difluorophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C13H8F2O/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-8H
InChIKeyKKOQMGVTGKBJBL-UHFFFAOYSA-N
MW218.20 g/mol
LogP3.44
Rot. Bonds2

About 4-(3,5-difluorophenyl)benzaldehyde

4-(3,5-difluorophenyl)benzaldehyde (PubChem CID 11367947) has the molecular formula C13H8F2O and a molecular weight of 218.20 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)benzaldehyde.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)benzaldehyde
PubChem CID11367947
Molecular FormulaC13H8F2O
Molecular Weight218.20 g/mol
Exact Mass218.05
IUPAC Name4-(3,5-difluorophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C13H8F2O/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-8H
InChIKeyKKOQMGVTGKBJBL-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 53.44
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 4-(3,5-difluorophenyl)benzaldehyde?
The IUPAC name of 4-(3,5-difluorophenyl)benzaldehyde (CID 11367947) is 4-(3,5-difluorophenyl)benzaldehyde.
What is the SMILES notation for 4-(3,5-difluorophenyl)benzaldehyde?
The canonical SMILES for 4-(3,5-difluorophenyl)benzaldehyde is O=Cc1ccc(-c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 4-(3,5-difluorophenyl)benzaldehyde?
The InChIKey is KKOQMGVTGKBJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-8H.
What are the key properties of 4-(3,5-difluorophenyl)benzaldehyde?
4-(3,5-difluorophenyl)benzaldehyde has a molecular weight of 218.20 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)benzaldehyde is sourced from PubChem (CID 11367947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).