5-chloro-2-(2,4-difluorophenyl)benzaldehyde

C13H7ClF2O — CID 66158909

IUPAC5-chloro-2-(2,4-difluorophenyl)benzaldehyde
SMILESO=Cc1cc(Cl)ccc1-c1ccc(F)cc1F
InChIInChI=1S/C13H7ClF2O/c14-9-1-3-11(8(5-9)7-17)12-4-2-10(15)6-13(12)16/h1-7H
InChIKeyNLKYGEWCHIPZDM-UHFFFAOYSA-N
MW252.65 g/mol
LogP4.10
Rot. Bonds2

About 5-chloro-2-(2,4-difluorophenyl)benzaldehyde

5-chloro-2-(2,4-difluorophenyl)benzaldehyde (PubChem CID 66158909) has the molecular formula C13H7ClF2O and a molecular weight of 252.65 g/mol. Its IUPAC name is 5-chloro-2-(2,4-difluorophenyl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2,4-difluorophenyl)benzaldehyde
PubChem CID66158909
Molecular FormulaC13H7ClF2O
Molecular Weight252.65 g/mol
Exact Mass252.02
IUPAC Name5-chloro-2-(2,4-difluorophenyl)benzaldehyde
SMILESO=Cc1cc(Cl)ccc1-c1ccc(F)cc1F
InChIInChI=1S/C13H7ClF2O/c14-9-1-3-11(8(5-9)7-17)12-4-2-10(15)6-13(12)16/h1-7H
InChIKeyNLKYGEWCHIPZDM-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 54.10
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-chloro-2-(2,4-difluorophenyl)benzaldehyde?
The IUPAC name of 5-chloro-2-(2,4-difluorophenyl)benzaldehyde (CID 66158909) is 5-chloro-2-(2,4-difluorophenyl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(2,4-difluorophenyl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(2,4-difluorophenyl)benzaldehyde is O=Cc1cc(Cl)ccc1-c1ccc(F)cc1F.
What is the InChIKey of 5-chloro-2-(2,4-difluorophenyl)benzaldehyde?
The InChIKey is NLKYGEWCHIPZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O/c14-9-1-3-11(8(5-9)7-17)12-4-2-10(15)6-13(12)16/h1-7H.
What are the key properties of 5-chloro-2-(2,4-difluorophenyl)benzaldehyde?
5-chloro-2-(2,4-difluorophenyl)benzaldehyde has a molecular weight of 252.65 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-difluorophenyl)benzaldehyde is sourced from PubChem (CID 66158909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).