3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde

C13H7Cl2FO — CID 119005292

IUPAC3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H7Cl2FO/c14-11-2-1-3-12(15)13(11)9-4-8(7-17)5-10(16)6-9/h1-7H
InChIKeyAUXZWKVHRKPASE-UHFFFAOYSA-N
MW269.10 g/mol
LogP4.61
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde

3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde (PubChem CID 119005292) has the molecular formula C13H7Cl2FO and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde
PubChem CID119005292
Molecular FormulaC13H7Cl2FO
Molecular Weight269.10 g/mol
Exact Mass267.99
IUPAC Name3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H7Cl2FO/c14-11-2-1-3-12(15)13(11)9-4-8(7-17)5-10(16)6-9/h1-7H
InChIKeyAUXZWKVHRKPASE-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 54.61
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

3-(2-chlorophenyl)-5-fluorobenzaldehyde
CID 166643026
3-(3,5-dichlorophenyl)-5-fluorobenzaldehyde
CID 134623785
3-fluoro-5-phenylbenzaldehyde
CID 122475031
1,3,5-tris(2,6-dichlorophenyl)benzene
CID 134437988
[3-(2,6-dichlorophenyl)-5-fluorophenyl]methanol
CID 118824355
3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde
CID 172653719
4-(3,5-difluorophenyl)benzaldehyde
CID 11367947
4-chloro-3-(3-fluorophenyl)benzaldehyde
CID 82106981
3-(2-chloro-4-fluorophenyl)benzaldehyde
CID 50998586
5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde
CID 122358686
4-(2,4,6-trifluorophenyl)benzaldehyde
CID 54910403
3-fluoro-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzaldehyde
CID 122475753

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde (CID 119005292) is 3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde is O=Cc1cc(F)cc(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde?
The InChIKey is AUXZWKVHRKPASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO/c14-11-2-1-3-12(15)13(11)9-4-8(7-17)5-10(16)6-9/h1-7H.
What are the key properties of 3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde?
3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde has a molecular weight of 269.10 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde is sourced from PubChem (CID 119005292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).