5-(2,4-difluorophenyl)-2-fluorobenzaldehyde

C13H7F3O — CID 61033868

IUPAC5-(2,4-difluorophenyl)-2-fluorobenzaldehyde
SMILESO=Cc1cc(-c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C13H7F3O/c14-10-2-3-11(13(16)6-10)8-1-4-12(15)9(5-8)7-17/h1-7H
InChIKeyPFFGFEDGWIXMNW-UHFFFAOYSA-N
MW236.19 g/mol
LogP3.58
Rot. Bonds2

About 5-(2,4-difluorophenyl)-2-fluorobenzaldehyde

5-(2,4-difluorophenyl)-2-fluorobenzaldehyde (PubChem CID 61033868) has the molecular formula C13H7F3O and a molecular weight of 236.19 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-fluorobenzaldehyde
PubChem CID61033868
Molecular FormulaC13H7F3O
Molecular Weight236.19 g/mol
Exact Mass236.04
IUPAC Name5-(2,4-difluorophenyl)-2-fluorobenzaldehyde
SMILESO=Cc1cc(-c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C13H7F3O/c14-10-2-3-11(13(16)6-10)8-1-4-12(15)9(5-8)7-17/h1-7H
InChIKeyPFFGFEDGWIXMNW-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 53.58
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 5-(2,4-difluorophenyl)-2-fluorobenzaldehyde?
The IUPAC name of 5-(2,4-difluorophenyl)-2-fluorobenzaldehyde (CID 61033868) is 5-(2,4-difluorophenyl)-2-fluorobenzaldehyde.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-fluorobenzaldehyde?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-fluorobenzaldehyde is O=Cc1cc(-c2ccc(F)cc2F)ccc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-fluorobenzaldehyde?
The InChIKey is PFFGFEDGWIXMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O/c14-10-2-3-11(13(16)6-10)8-1-4-12(15)9(5-8)7-17/h1-7H.
What are the key properties of 5-(2,4-difluorophenyl)-2-fluorobenzaldehyde?
5-(2,4-difluorophenyl)-2-fluorobenzaldehyde has a molecular weight of 236.19 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-fluorobenzaldehyde is sourced from PubChem (CID 61033868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).